2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 114084-91-2) is a chemical compound with molecular formula C13H6ClF3N2 and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-chloro-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, BAS 00648675, 3-Pyridinecarbonitrile, 2-chloro-6-phenyl-4-(trifluoromethyl)-, 4-trifluoromethyl-6-phenyl-2-chloro-3-cyanopyridine
| Molecular Formula | C13H6ClF3N2 |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.01715 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 114084-91-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)Cl |
| InChIKey | SZLCNVQGOCMSPP-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 114084-91-2), with molecular formula C13H6ClF3N2 and molecular weight 282.02 g/mol. IUPAC: 2-chloro-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.1 indicates that 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 5 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 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 114084-91-2.
What is the molecular formula of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile is C13H6ClF3N2.
What is the molecular weight of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 282.02 g/mol.
Where can I buy 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-phenyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.