6-氯吡啶甲酸
TL;DR: 6-氯吡啶甲酸 (CAS 4684-94-0) is a chemical compound with molecular formula C6H4ClNO2 and molecular weight 156.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯吡啶甲酸
6-chloropyridine-2-carboxylic acid
Also Known As: 6-CHLOROPICOLINIC ACID, 6-Chloropyridine-2-carboxylic acid, 2-Chloro-6-Pyridinecarboxylic Acid, 6-Chloro-2-picolinic acid, 2-Pyridinecarboxylic acid, 6-chloro-
| Molecular Formula | C6H4ClNO2 |
|---|---|
| Molecular Weight | 156.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.99306 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
| Solubility | >23.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4684-94-0 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Cl)C(=O)O |
| InChIKey | ZLKMOIHCHCMSFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-氯吡啶甲酸 (CAS 4684-94-0), with molecular formula C6H4ClNO2 and molecular weight 156.99 g/mol. IUPAC: 6-chloropyridine-2-carboxylic acid.
Chemical Property Profile of 6-氯吡啶甲酸
Property Insights of 6-氯吡啶甲酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯吡啶甲酸. With a topological polar surface area (TPSA) of 50.2 Ų, 6-氯吡啶甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯吡啶甲酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-氯吡啶甲酸?
The CAS number of 6-氯吡啶甲酸 is 4684-94-0.
What is the molecular formula of 6-氯吡啶甲酸?
The molecular formula of 6-氯吡啶甲酸 is C6H4ClNO2.
What is the molecular weight of 6-氯吡啶甲酸?
The molecular weight of 6-氯吡啶甲酸 is 156.99 g/mol.
Where can I buy 6-氯吡啶甲酸?
You can request a quote for 6-氯吡啶甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯吡啶甲酸?
Yes, KEHONG BIO provides custom synthesis services for 6-氯吡啶甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.