6-(Trifluoromethyl)pyridine-3-carboxylate
TL;DR: 6-(Trifluoromethyl)pyridine-3-carboxylate (CAS 231291-22-8) is a chemical compound with molecular formula C7H3F3NO2- and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: C7H3F3NO2-, 6-(trifluoromethyl)pyridine-3-carboxylate, 6-trifluoromethylpyridine-3-carboxylic acid
| Molecular Formula | C7H3F3NO2- |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | 0.4639 |
| Topological Polar Surface Area | 53.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.01158 |
| Heavy Atoms | 13 |
| Complexity | 317.5047 |
Chemical Identifiers
| CAS Number | 231291-22-8 |
|---|---|
| SMILES | C1=CC(=NC=C1C(=O)[O-])C(F)(F)F |
Product Overview
6-(Trifluoromethyl)pyridine-3-carboxylate (CAS 231291-22-8), with molecular formula C7H3F3NO2- and molecular weight 190.01 g/mol. IUPAC: 6-(trifluoromethyl)pyridine-3-carboxylate.
Chemical Property Profile of 6-(Trifluoromethyl)pyridine-3-carboxylate
Property Insights of 6-(Trifluoromethyl)pyridine-3-carboxylate
The XLogP value of 0.4639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Trifluoromethyl)pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 53.02 Ų, 6-(Trifluoromethyl)pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Trifluoromethyl)pyridine-3-carboxylate 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 6-(Trifluoromethyl)pyridine-3-carboxylate?
The CAS number of 6-(Trifluoromethyl)pyridine-3-carboxylate is 231291-22-8.
What is the molecular formula of 6-(Trifluoromethyl)pyridine-3-carboxylate?
The molecular formula of 6-(Trifluoromethyl)pyridine-3-carboxylate is C7H3F3NO2-.
What is the molecular weight of 6-(Trifluoromethyl)pyridine-3-carboxylate?
The molecular weight of 6-(Trifluoromethyl)pyridine-3-carboxylate is 190.01 g/mol.
Where can I buy 6-(Trifluoromethyl)pyridine-3-carboxylate?
You can request a quote for 6-(Trifluoromethyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Trifluoromethyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Trifluoromethyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.