Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-
TL;DR: Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- (CAS 54530-73-3) is a chemical compound with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Also Known As: 2-(3'-Trifluoromethylanilino)-6-methylnicotinic acid, 6-Methyl-2-(3'-trifluoromethylanilino)nicotinic acid, 5-22-13-00637 (Beilstein Handbook Reference), NICOTINIC ACID, 6-METHYL-2-(3'-TRIFLUOROMETHYLANILINO)-, 3-Pyridinecarboxylic acid, 6-methyl-2-((3-(trifluoromethyl)phenyl)amino)-
| Molecular Formula | C14H11F3N2O2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.07727 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 54530-73-3 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | KMNCTHOWFYWWGV-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- (CAS 54530-73-3), with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol. IUPAC: 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
Chemical Property Profile of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-
Property Insights of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-
The XLogP value of 4.1 indicates that Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-. Following Lipinski's Rule of Five, Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- has 2 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 Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-?
The CAS number of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- is 54530-73-3.
What is the molecular formula of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-?
The molecular formula of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- is C14H11F3N2O2.
What is the molecular weight of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-?
The molecular weight of Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- is 296.08 g/mol.
Where can I buy Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-?
You can request a quote for Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)-?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 6-methyl-2-(3'-trifluoromethylanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.