![3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride structure](/static/products/2178/217816-42-7.webp)
3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride
TL;DR: 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride (CAS 217816-42-7) is a chemical compound with molecular formula C14H10ClF3N2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride
Also Known As: 3-cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride, 3-CYANO-1-[3-(TRIFLUOROMETHYL)BENZYL]PYRIDINIUMCHLORIDE, 3-cyano-1-{[3-(trifluoromethyl)phenyl]methyl}pyridin-1-ium chloride, 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride, 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile;chloride
| Molecular Formula | C14H10ClF3N2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | -0.08312 |
| Topological Polar Surface Area | 27.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.04846 |
| Heavy Atoms | 20 |
| Complexity | 632.8015 |
Chemical Identifiers
| CAS Number | 217816-42-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C[N+]2=CC=CC(=C2)C#N.[Cl-] |
Product Overview
3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride (CAS 217816-42-7), with molecular formula C14H10ClF3N2 and molecular weight 298.05 g/mol. IUPAC: 1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carbonitrile chloride.
Chemical Property Profile of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride
Property Insights of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride
The XLogP value of -0.08312 indicates that 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.67 Ų, 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride has 0 hydrogen bond donor(s) and 1 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 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride?
The CAS number of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride is 217816-42-7.
What is the molecular formula of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride?
The molecular formula of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride is C14H10ClF3N2.
What is the molecular weight of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride?
The molecular weight of 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride is 298.05 g/mol.
Where can I buy 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride?
You can request a quote for 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-1-[3-(trifluoromethyl)benzyl]pyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.