Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate
TL;DR: Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate (CAS 887584-32-9) is a chemical compound with molecular formula C10H8BrClN2O2 and molecular weight 301.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-2-chloro-3-cyano-6-methylpyridine-4-carboxylate
Also Known As: ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate, AO-801/41077570, Ethyl 3-bromo-6-chloro-5-cyano-2-methyl-4-pyridinecarboxylate, ethyl 5-bromo-2-chloro-3-cyano-6-methylpyridine-4-carboxylate, Ethyl 3-bromo-6-chloro-5-cyano-2-methylpyridine-4-carboxylate
| Molecular Formula | C10H8BrClN2O2 |
|---|---|
| Molecular Weight | 301.95 g/mol |
| LogP | 2.8543 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.94577 |
| Heavy Atoms | 16 |
| Complexity | 482.68787 |
Chemical Identifiers
| CAS Number | 887584-32-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=C1Br)C)Cl)C#N |
Product Overview
Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate (CAS 887584-32-9), with molecular formula C10H8BrClN2O2 and molecular weight 301.95 g/mol. IUPAC: ethyl 5-bromo-2-chloro-3-cyano-6-methylpyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate
Property Insights of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate
The XLogP value of 2.8543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate. Following Lipinski's Rule of Five, Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate has 0 hydrogen bond donor(s) and 4 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 3-bromo-6-chloro-5-cyano-2-methylisonicotinate?
The CAS number of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate is 887584-32-9.
What is the molecular formula of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate?
The molecular formula of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate is C10H8BrClN2O2.
What is the molecular weight of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate?
The molecular weight of Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate is 301.95 g/mol.
Where can I buy Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate?
You can request a quote for Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromo-6-chloro-5-cyano-2-methylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.