6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile (CAS 338749-70-5) is a chemical compound with molecular formula C13H6ClF3N2O and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 6-(2-chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile, 6-(2-chlorophenyl)-2-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(2-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-(2-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C13H6ClF3N2O |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 3.58578 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.0121 |
| Heavy Atoms | 20 |
| Complexity | 759.4323 |
Chemical Identifiers
| CAS Number | 338749-70-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F)Cl |
Product Overview
6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile (CAS 338749-70-5), with molecular formula C13H6ClF3N2O and molecular weight 298.01 g/mol. IUPAC: 6-(2-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.58578 indicates that 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)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 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is 338749-70-5.
What is the molecular formula of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is C13H6ClF3N2O.
What is the molecular weight of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is 298.01 g/mol.
Where can I buy 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-(2-Chlorophenyl)-2-hydroxy-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 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Chlorophenyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.