2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 114084-97-8) is a chemical compound with molecular formula C17H16F3N3 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)-, 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
| Molecular Formula | C17H16F3N3 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 4.48528 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.12964 |
| Heavy Atoms | 23 |
| Complexity | 714.34393 |
Chemical Identifiers
| CAS Number | 114084-97-8 |
|---|---|
| SMILES | CCN(CC)C1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N |
Product Overview
2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 114084-97-8), with molecular formula C17H16F3N3 and molecular weight 319.13 g/mol. IUPAC: 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.48528 indicates that 2-(Diethylamino)-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 39.92 Ų, 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 3 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-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 114084-97-8.
What is the molecular formula of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is C17H16F3N3.
What is the molecular weight of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 319.13 g/mol.
Where can I buy 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-(Diethylamino)-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-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.