2-(Trifluoromethyl)pyridine-3-carboxylic acid
TL;DR: 2-(Trifluoromethyl)pyridine-3-carboxylic acid (CAS 112086-52-9) is a chemical compound with molecular formula C7H4F3NO2 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)pyridine-3-carboxylic acid
Also Known As: 2-(Trifluoromethyl)nicotinic acid, 2-Trifluoromethylnicotinic acid, 2-(Trifluoromethyl)pyridine-3-carboxylic acid, 2-Trifluoromethyl-nicotinic acid, 2-(Trifluoromethyl) Nicotinic Acid
| Molecular Formula | C7H4F3NO2 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 1.7986 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.01941 |
| Heavy Atoms | 13 |
| Complexity | 334.7547 |
Chemical Identifiers
| CAS Number | 112086-52-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)C(F)(F)F)C(=O)O |
Product Overview
2-(Trifluoromethyl)pyridine-3-carboxylic acid (CAS 112086-52-9), with molecular formula C7H4F3NO2 and molecular weight 191.02 g/mol. IUPAC: 2-(trifluoromethyl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(Trifluoromethyl)pyridine-3-carboxylic acid
Property Insights of 2-(Trifluoromethyl)pyridine-3-carboxylic acid
The XLogP value of 1.7986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)pyridine-3-carboxylic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 2-(Trifluoromethyl)pyridine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)pyridine-3-carboxylic acid 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-(Trifluoromethyl)pyridine-3-carboxylic acid?
The CAS number of 2-(Trifluoromethyl)pyridine-3-carboxylic acid is 112086-52-9.
What is the molecular formula of 2-(Trifluoromethyl)pyridine-3-carboxylic acid?
The molecular formula of 2-(Trifluoromethyl)pyridine-3-carboxylic acid is C7H4F3NO2.
What is the molecular weight of 2-(Trifluoromethyl)pyridine-3-carboxylic acid?
The molecular weight of 2-(Trifluoromethyl)pyridine-3-carboxylic acid is 191.02 g/mol.
Where can I buy 2-(Trifluoromethyl)pyridine-3-carboxylic acid?
You can request a quote for 2-(Trifluoromethyl)pyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.