Ethyl 2-chloro-3-methylisonicotinate
TL;DR: Ethyl 2-chloro-3-methylisonicotinate (CAS 301666-92-2) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3-methylpyridine-4-carboxylate
Also Known As: Ethyl 2-chloro-3-methylisonicotinate, ethyl 2-chloro-3-methylpyridine-4-carboxylate, 2-Chloro-3-methyl-isonicotinic acid ethyl ester, 2-Chloro-3-methylpyridine-4-carboxylic acid ethyl ester, Ethyl2-chloro-3-methylisonicotinate
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 2.22012 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 301666-92-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC=C1)Cl)C |
Product Overview
Ethyl 2-chloro-3-methylisonicotinate (CAS 301666-92-2), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: ethyl 2-chloro-3-methylpyridine-4-carboxylate.
Chemical Property Profile of Ethyl 2-chloro-3-methylisonicotinate
Property Insights of Ethyl 2-chloro-3-methylisonicotinate
The XLogP value of 2.22012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-3-methylisonicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 2-chloro-3-methylisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-3-methylisonicotinate 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 Ethyl 2-chloro-3-methylisonicotinate?
The CAS number of Ethyl 2-chloro-3-methylisonicotinate is 301666-92-2.
What is the molecular formula of Ethyl 2-chloro-3-methylisonicotinate?
The molecular formula of Ethyl 2-chloro-3-methylisonicotinate is C9H10ClNO2.
What is the molecular weight of Ethyl 2-chloro-3-methylisonicotinate?
The molecular weight of Ethyl 2-chloro-3-methylisonicotinate is 199.04 g/mol.
Where can I buy Ethyl 2-chloro-3-methylisonicotinate?
You can request a quote for Ethyl 2-chloro-3-methylisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3-methylisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3-methylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.