![2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile structure](/static/products/4782/478245-74-8.webp)
2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile
TL;DR: 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile (CAS 478245-74-8) is a chemical compound with molecular formula C14H10F3N3 and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
Also Known As: 9M-545S, 2-(methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile, 2-(methylamino)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile, 2-methylamino-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
| Molecular Formula | C14H10F3N3 |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 3.68078 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.08267 |
| Heavy Atoms | 20 |
| Complexity | 672.09485 |
Chemical Identifiers
| CAS Number | 478245-74-8 |
|---|---|
| SMILES | CNC1=NC=CC(=C1C#N)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile (CAS 478245-74-8), with molecular formula C14H10F3N3 and molecular weight 277.08 g/mol. IUPAC: 2-(methylamino)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile
Property Insights of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile
The XLogP value of 3.68078 indicates that 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile has 1 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-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
The CAS number of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is 478245-74-8.
What is the molecular formula of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
The molecular formula of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is C14H10F3N3.
What is the molecular weight of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
The molecular weight of 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is 277.08 g/mol.
Where can I buy 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
You can request a quote for 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)-4-[3-(trifluoromethyl)phenyl]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.