5-Cyano-2-(trifluoromethyl)pyridine
TL;DR: 5-Cyano-2-(trifluoromethyl)pyridine (CAS 216431-85-5) is a chemical compound with molecular formula C7H3F3N2 and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-(Trifluoromethyl)nicotinonitrile, 5-cyano-2-(trifluoromethyl)pyridine, 6-(trifluoromethyl)pyridine-3-carbonitrile, 6- nicotinonitrile, 3-Cyano-6-(trifluoromethyl)pyridine
| Molecular Formula | C7H3F3N2 |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 1.97208 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.02483 |
| Heavy Atoms | 12 |
| Complexity | 306.90875 |
Chemical Identifiers
| CAS Number | 216431-85-5 |
|---|---|
| SMILES | C1=CC(=NC=C1C#N)C(F)(F)F |
Product Overview
5-Cyano-2-(trifluoromethyl)pyridine (CAS 216431-85-5), with molecular formula C7H3F3N2 and molecular weight 172.02 g/mol. IUPAC: 6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 5-Cyano-2-(trifluoromethyl)pyridine
Property Insights of 5-Cyano-2-(trifluoromethyl)pyridine
The XLogP value of 1.97208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-2-(trifluoromethyl)pyridine. With a topological polar surface area (TPSA) of 36.68 Ų, 5-Cyano-2-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Cyano-2-(trifluoromethyl)pyridine has 0 hydrogen bond donor(s) and 2 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 5-Cyano-2-(trifluoromethyl)pyridine?
The CAS number of 5-Cyano-2-(trifluoromethyl)pyridine is 216431-85-5.
What is the molecular formula of 5-Cyano-2-(trifluoromethyl)pyridine?
The molecular formula of 5-Cyano-2-(trifluoromethyl)pyridine is C7H3F3N2.
What is the molecular weight of 5-Cyano-2-(trifluoromethyl)pyridine?
The molecular weight of 5-Cyano-2-(trifluoromethyl)pyridine is 172.02 g/mol.
Where can I buy 5-Cyano-2-(trifluoromethyl)pyridine?
You can request a quote for 5-Cyano-2-(trifluoromethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.