2-(4-Chloro-phenylamino)-nicotinic acid
TL;DR: 2-(4-Chloro-phenylamino)-nicotinic acid (CAS 16344-26-6) is a chemical compound with molecular formula C12H9ClN2O2 and molecular weight 248.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloroanilino)pyridine-3-carboxylic acid
Also Known As: DHODH-IN-17, 2-(4-Chloro-phenylamino)-nicotinic acid, 2-[(4-Chlorophenyl)amino]nicotinic acid, 2-(4-chloroanilino)pyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 2-[(4-chlorophenyl)amino]-
Technical Specifications
| Molecular Formula | C12H9ClN2O2 |
| Molecular Weight | 248.03525 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.03525 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | YEXIXVLEDGNAKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chloro-phenylamino)-nicotinic acid
Property Insights of 2-(4-Chloro-phenylamino)-nicotinic acid
The XLogP value of 3.4 indicates that 2-(4-Chloro-phenylamino)-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-(4-Chloro-phenylamino)-nicotinic acid. Following Lipinski's Rule of Five, 2-(4-Chloro-phenylamino)-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
What is the CAS number of 2-(4-Chloro-phenylamino)-nicotinic acid?
The CAS number of 2-(4-Chloro-phenylamino)-nicotinic acid is 16344-26-6.
What is the molecular formula of 2-(4-Chloro-phenylamino)-nicotinic acid?
The molecular formula of 2-(4-Chloro-phenylamino)-nicotinic acid is C12H9ClN2O2.
What is the molecular weight of 2-(4-Chloro-phenylamino)-nicotinic acid?
The molecular weight of 2-(4-Chloro-phenylamino)-nicotinic acid is 248.03525 g/mol.
Where can I buy 2-(4-Chloro-phenylamino)-nicotinic acid?
You can request a quote for 2-(4-Chloro-phenylamino)-nicotinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chloro-phenylamino)-nicotinic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chloro-phenylamino)-nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.