2-Chloroisonicotinic acid
TL;DR: 2-Chloroisonicotinic acid (CAS 69826-43-3) 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.
2-chloropyridine-4-carboxylic acid
Also Known As: 2-Chloroisonicotinic acid, 2-Chloropyridine-4-carboxylic acid, 2-Chloro-4-pyridinecarboxylic acid, 2-chlorisonicotins, 2-Chloro-isonicotinic acid
| Molecular Formula | C6H4ClNO2 |
|---|---|
| Molecular Weight | 156.99 g/mol |
| LogP | 1.1 |
| 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 |
Chemical Identifiers
| CAS Number | 69826-43-3 |
|---|---|
| SMILES | C1=CN=C(C=C1C(=O)O)Cl |
| InChIKey | QXCOHSRHFCHCHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroisonicotinic acid (CAS 69826-43-3), with molecular formula C6H4ClNO2 and molecular weight 156.99 g/mol. IUPAC: 2-chloropyridine-4-carboxylic acid.
Chemical Property Profile of 2-Chloroisonicotinic acid
Property Insights of 2-Chloroisonicotinic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroisonicotinic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Chloroisonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroisonicotinic acid 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 2-Chloroisonicotinic acid?
The CAS number of 2-Chloroisonicotinic acid is 69826-43-3.
What is the molecular formula of 2-Chloroisonicotinic acid?
The molecular formula of 2-Chloroisonicotinic acid is C6H4ClNO2.
What is the molecular weight of 2-Chloroisonicotinic acid?
The molecular weight of 2-Chloroisonicotinic acid is 156.99 g/mol.
Where can I buy 2-Chloroisonicotinic acid?
You can request a quote for 2-Chloroisonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroisonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroisonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.