![2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid structure](/static/products/5349/53498-75-2.webp)
2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid
TL;DR: 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid (CAS 53498-75-2) is a chemical compound with molecular formula C14H7F6NO2 and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
Also Known As: 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid, 2-(Trifluoromethyl)-6-(4-(trifluoromethyl)phenyl)isonicotinic acid, 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
| Molecular Formula | C14H7F6NO2 |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.0381 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 53498-75-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=CC(=C2)C(=O)O)C(F)(F)F)C(F)(F)F |
| InChIKey | IKRFKFWWAHIVPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid (CAS 53498-75-2), with molecular formula C14H7F6NO2 and molecular weight 335.04 g/mol. IUPAC: 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.
Chemical Property Profile of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid
Property Insights of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid
The XLogP value of 3.8 indicates that 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid has 1 hydrogen bond donor(s) and 9 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-6-[4-trifluoromethylphenyl]isonicotinic acid?
The CAS number of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid is 53498-75-2.
What is the molecular formula of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid?
The molecular formula of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid is C14H7F6NO2.
What is the molecular weight of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid?
The molecular weight of 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid is 335.04 g/mol.
Where can I buy 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid?
You can request a quote for 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic 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-6-[4-trifluoromethylphenyl]isonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethyl-6-[4-trifluoromethylphenyl]isonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.