![2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile structure](/static/products/4782/478245-70-4.webp)
2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile
TL;DR: 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile (CAS 478245-70-4) is a chemical compound with molecular formula C13H7F3N2O and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
Also Known As: 9M-538S, 2-hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile, 2-hydroxy-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile, 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
| Molecular Formula | C13H7F3N2O |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.93238 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.05106 |
| Heavy Atoms | 19 |
| Complexity | 710.8039 |
Chemical Identifiers
| CAS Number | 478245-70-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=C(C(=O)NC=C2)C#N |
Product Overview
2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile (CAS 478245-70-4), with molecular formula C13H7F3N2O and molecular weight 264.05 g/mol. IUPAC: 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile
Property Insights of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile
The XLogP value of 2.93238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile has 1 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 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
The CAS number of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is 478245-70-4.
What is the molecular formula of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
The molecular formula of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is C13H7F3N2O.
What is the molecular weight of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
The molecular weight of 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile is 264.05 g/mol.
Where can I buy 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
You can request a quote for 2-Hydroxy-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-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-[3-(trifluoromethyl)phenyl]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.