3-Pyridinecarboxylic acid, 2-chloroethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 2-chloroethyl ester (CAS 83427-76-3) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl pyridine-3-carboxylate
Also Known As: 2-chloroethyl pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 2-chloroethyl ester, Nicotinic acid 2-chloroethyl ester
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 83427-76-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCl |
| InChIKey | KWPQRCZYDGDFRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarboxylic acid, 2-chloroethyl ester (CAS 83427-76-3), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: 2-chloroethyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-chloroethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 2-chloroethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Pyridinecarboxylic acid, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-chloroethyl ester has 0 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 3-Pyridinecarboxylic acid, 2-chloroethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 2-chloroethyl ester is 83427-76-3.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-chloroethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 2-chloroethyl ester is C8H8ClNO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-chloroethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 2-chloroethyl ester is 185.02 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-chloroethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 2-chloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.