2-Chloro-6-thien-2-ylnicotinic acid
TL;DR: 2-Chloro-6-thien-2-ylnicotinic acid (CAS 4513-77-3) is a chemical compound with molecular formula C10H6ClNO2S and molecular weight 238.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-thiophen-2-ylpyridine-3-carboxylic acid
Also Known As: 2-CHLORO-6-THIEN-2-YLNICOTINIC ACID, 2-oxocyclohexanecarbonitrile, 2-Chloro-6-(thiophen-2-yl)nicotinic acid, 2-chloro-6-(2-thienyl)nicotinic acid, 2-Chloro-6-(thiophen-2-yl)nicotinicacid
| Molecular Formula | C10H6ClNO2S |
|---|---|
| Molecular Weight | 238.98 g/mol |
| LogP | 3.1617 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.98077 |
| Heavy Atoms | 15 |
| Complexity | 496.12842 |
Chemical Identifiers
| CAS Number | 4513-77-3 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C=C2)C(=O)O)Cl |
Product Overview
2-Chloro-6-thien-2-ylnicotinic acid (CAS 4513-77-3), with molecular formula C10H6ClNO2S and molecular weight 238.98 g/mol. IUPAC: 2-chloro-6-thiophen-2-ylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-Chloro-6-thien-2-ylnicotinic acid
Property Insights of 2-Chloro-6-thien-2-ylnicotinic acid
The XLogP value of 3.1617 indicates that 2-Chloro-6-thien-2-ylnicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-Chloro-6-thien-2-ylnicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-thien-2-ylnicotinic 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-Chloro-6-thien-2-ylnicotinic acid?
The CAS number of 2-Chloro-6-thien-2-ylnicotinic acid is 4513-77-3.
What is the molecular formula of 2-Chloro-6-thien-2-ylnicotinic acid?
The molecular formula of 2-Chloro-6-thien-2-ylnicotinic acid is C10H6ClNO2S.
What is the molecular weight of 2-Chloro-6-thien-2-ylnicotinic acid?
The molecular weight of 2-Chloro-6-thien-2-ylnicotinic acid is 238.98 g/mol.
Where can I buy 2-Chloro-6-thien-2-ylnicotinic acid?
You can request a quote for 2-Chloro-6-thien-2-ylnicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-thien-2-ylnicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-thien-2-ylnicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.