Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate
TL;DR: Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate (CAS 175277-73-3) is a chemical compound with molecular formula C10H6ClF3N2O2 and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate, ethyl 6-chloro-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate, 5-bromo-2-morpholin-4-ylaniline, Ethyl 2-chloro-3-cyano-6-(trifluoromethyl)-pyridine-5-carboxylate, 5830AD
| Molecular Formula | C10H6ClF3N2O2 |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 2.80218 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.007 |
| Heavy Atoms | 18 |
| Complexity | 523.0797 |
Chemical Identifiers
| CAS Number | 175277-73-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)Cl)C(F)(F)F |
Product Overview
Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate (CAS 175277-73-3), with molecular formula C10H6ClF3N2O2 and molecular weight 278.01 g/mol. IUPAC: ethyl 6-chloro-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate
Property Insights of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate
The XLogP value of 2.80218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate. Following Lipinski's Rule of Five, Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate 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 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate?
The CAS number of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate is 175277-73-3.
What is the molecular formula of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate?
The molecular formula of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate is C10H6ClF3N2O2.
What is the molecular weight of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate?
The molecular weight of Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate is 278.01 g/mol.
Where can I buy Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate?
You can request a quote for Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-chloro-5-cyano-2-(trifluoromethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.