2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
TL;DR: 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid (CAS 41296-96-2) is a chemical compound with molecular formula C13H8F3NO3 and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
Also Known As: 2-[3-(trifluoromethyl)phenoxy]nicotinic acid, 2-(3-(Trifluoromethyl)phenoxy)nicotinic acid, diflufenican TP2, Diflufenican metabolite, 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
| Molecular Formula | C13H8F3NO3 |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.04562 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 41296-96-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F |
| InChIKey | OBRGOFGSXWAVNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid (CAS 41296-96-2), with molecular formula C13H8F3NO3 and molecular weight 283.05 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
Property Insights of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
The XLogP value of 3.1 indicates that 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid has 1 hydrogen bond donor(s) and 7 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-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid?
The CAS number of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid is 41296-96-2.
What is the molecular formula of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid?
The molecular formula of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid is C13H8F3NO3.
What is the molecular weight of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid?
The molecular weight of 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid is 283.05 g/mol.
Where can I buy 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid?
You can request a quote for 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.