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| Other Sizes |
| Targets |
Specific biological targets for 2-Chloro-3-pyridinol are not well-defined, as this compound is primarily used as a chemical reagent and synthetic intermediate rather than a therapeutic agent. It may interact with enzymes involved in the metabolism of halogenated pyridines, but such interactions are not the focus of its primary applications. The compound's biological activity, if any, would likely arise from its ability to act as a ligand for certain metal-containing enzymes or receptors. However, its main utility lies in organic synthesis, where it serves as a precursor for more complex molecules. Further studies would be required to elucidate any specific molecular targets.
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| ln Vitro |
In vitro biological activity is not the primary focus for this compound, as it is predominantly used as a synthetic intermediate and biochemical reagent. Its reactivity is characterized by its ability to undergo various chemical transformations, including halogenation, nitration, and coupling reactions. The compound's phenolic hydroxyl group and chloro substituent make it a versatile substrate for electrophilic aromatic substitution and metal-catalyzed cross-coupling reactions. Its biochemical applications may include use as a standard or reference compound in analytical methods, but systematic in vitro pharmacological profiling is not typically performed.
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| ln Vivo |
In vivo biological activity is not applicable for 2-Chloro-3-pyridinol, as it is not intended for use as a therapeutic or bioactive agent. Its applications are limited to laboratory research and chemical synthesis. No in vivo efficacy or pharmacological studies in animal models are available, as the compound is not designed for systemic administration. Researchers handling this compound should focus on its chemical properties and synthetic utility rather than biological effects. Any biological activity would be incidental and not the subject of systematic investigation.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding experiments are not routinely performed for this compound, as it is not a pharmaceutical agent. However, the compound may be used as a substrate or inhibitor in enzymatic assays for studying the metabolism of halogenated pyridines. Typical biochemical experiments might involve incubating the compound with cytochrome P450 enzymes or other oxidative systems to identify metabolites. The compound's interaction with metal ions or proteins could be studied using spectroscopic methods, but such investigations are not standard for this reagent.
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| Cell Assay |
Cell-based assays are not typically conducted with 2-Chloro-3-pyridinol, as its primary applications are in organic synthesis rather than biological research. It is not considered a drug candidate and is not tested in cell culture models for pharmacological activity. The compound may be used as a reference standard in analytical chemistry, but cellular effects are not the focus of investigation. Researchers should handle this compound with appropriate safety precautions, as it may be a skin and eye irritant.
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| Animal Protocol |
In vivo animal studies are not performed with this compound in a therapeutic context. Its applications are confined to chemical synthesis and laboratory research. No efficacy or safety studies in animal models are available, as the compound is not intended for human or veterinary use. Researchers should consult safety data sheets for handling and disposal guidelines, but systemic toxicity and pharmacological profiling are not standard practice for this synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not characterized for 2-Chloro-3-pyridinol, as it is not a therapeutic agent. Its physicochemical properties include a molecular weight of 129.54 g/mol, a melting point of 170-172°C, and a density of approximately 1.23 g/cm³. The compound is slightly soluble in cold water and soluble in hot water. Its logP value would be moderate, reflecting its halogenated aromatic structure. No data on absorption, distribution, metabolism, or excretion are available, as these parameters are not relevant for a synthetic reagent.
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| Toxicity/Toxicokinetics |
Toxicological data for this compound are limited, as it is primarily used as a chemical reagent. It should be handled with appropriate safety precautions, as halogenated pyridines may exhibit irritant properties. The compound's stability is good under normal storage conditions, but it may be incompatible with strong oxidizing agents. No carcinogenic or reproductive toxicity data are available. Acute toxicity studies are not typically performed for this intermediate. Researchers should consult the safety data sheet for specific hazard information and handling guidelines.
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| Additional Infomation |
Structure in the first source
2-Chloro-3-pyridinol is a halogenated heterocyclic compound with the molecular formula C5H4ClNO. It is available as a biochemical reagent with a purity of ≥98%. The compound is used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its CAS number is 6636-78-8. The product is typically stored in a cool, dry place and has a shelf life of several years under proper conditions. It is not approved as a therapeutic agent but serves as a valuable tool in chemical research and development. |
| Molecular Formula |
C5H4CLNO
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|---|---|
| Molecular Weight |
129.54
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| Exact Mass |
128.998
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| CAS # |
6636-78-8
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| PubChem CID |
81136
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
316.2±22.0 °C at 760 mmHg
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| Melting Point |
170-172 °C(lit.)
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| Flash Point |
145.0±22.3 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.584
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| LogP |
1.27
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
78.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(Cl)N=C1)O
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| InChi Key |
RSOPTYAZDFSMTN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H4ClNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
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| Chemical Name |
2-chloropyridin-3-ol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.7196 mL | 38.5981 mL | 77.1962 mL | |
| 5 mM | 1.5439 mL | 7.7196 mL | 15.4392 mL | |
| 10 mM | 0.7720 mL | 3.8598 mL | 7.7196 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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