![2-[(3,4-Dimethylphenyl)amino]nicotinic acid structure](/static/products/1639/16396-31-9.webp)
2-[(3,4-Dimethylphenyl)amino]nicotinic acid
TL;DR: 2-[(3,4-Dimethylphenyl)amino]nicotinic acid (CAS 16396-31-9) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylanilino)pyridine-3-carboxylic acid
Also Known As: Metanixin, Metanixine, 2-[(3,4-Dimethylphenyl)amino]nicotinic acid, 2-(3,4-dimethylanilino)pyridine-3-carboxylic acid, 2-(3,4-Dimethyl-phenylamino)-nicotinic acid
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 16396-31-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C=CC=N2)C(=O)O)C |
| InChIKey | CDVPFUBDXWHKSU-UHFFFAOYSA-N |
Product Overview
2-[(3,4-Dimethylphenyl)amino]nicotinic acid (CAS 16396-31-9), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 2-(3,4-dimethylanilino)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid
Property Insights of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid
The XLogP value of 3.5 indicates that 2-[(3,4-Dimethylphenyl)amino]nicotinic acid 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 2-[(3,4-Dimethylphenyl)amino]nicotinic acid. Following Lipinski's Rule of Five, 2-[(3,4-Dimethylphenyl)amino]nicotinic acid has 2 hydrogen bond donor(s) and 4 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-[(3,4-Dimethylphenyl)amino]nicotinic acid?
The CAS number of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid is 16396-31-9.
What is the molecular formula of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid?
The molecular formula of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid is C14H14N2O2.
What is the molecular weight of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid?
The molecular weight of 2-[(3,4-Dimethylphenyl)amino]nicotinic acid is 242.11 g/mol.
Where can I buy 2-[(3,4-Dimethylphenyl)amino]nicotinic acid?
You can request a quote for 2-[(3,4-Dimethylphenyl)amino]nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-Dimethylphenyl)amino]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Dimethylphenyl)amino]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.