Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate
TL;DR: Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate (CAS 445-71-6) is a chemical compound with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-methyl-2-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate, ethyl 5-cyano-6-methyl-2-(trifluoromethyl)pyridine-3-carboxylate, 3793AE, Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)-nicotinate, ethyl5-cyano-6-methyl-2-(trifluoromethyl)nicotinate
| Molecular Formula | C11H9F3N2O2 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.4572 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0616 |
| Heavy Atoms | 18 |
| Complexity | 518.24524 |
Chemical Identifiers
| CAS Number | 445-71-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)C)C(F)(F)F |
Product Overview
Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate (CAS 445-71-6), with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol. IUPAC: ethyl 5-cyano-6-methyl-2-(trifluoromethyl)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate
Property Insights of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate
The XLogP value of 2.4572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-methyl-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 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate?
The CAS number of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate is 445-71-6.
What is the molecular formula of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate?
The molecular formula of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate is C11H9F3N2O2.
What is the molecular weight of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate?
The molecular weight of Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate is 258.06 g/mol.
Where can I buy Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate?
You can request a quote for Ethyl 5-cyano-6-methyl-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 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-methyl-2-(trifluoromethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.