2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
TL;DR: 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid (CAS 54877-27-9) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
Also Known As: Nicotinic acid, 2-(p-chlorobenzylamino)-, 2-(p-Chlorobenzylamino)nicotinic acid, 2-(4-Chlorobenzylamino)nicotinic acid, 2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid, 2-(4-chlorobenzylamino)-nicotinic acid
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 54877-27-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)NCC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | DOLGQLPAEFRJLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid (CAS 54877-27-9), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: 2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
Property Insights of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
The XLogP value of 3.4 indicates that 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic 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-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic 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-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid?
The CAS number of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid is 54877-27-9.
What is the molecular formula of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid?
The molecular formula of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid is C13H11ClN2O2.
What is the molecular weight of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid?
The molecular weight of 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid is 262.05 g/mol.
Where can I buy 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid?
You can request a quote for 2-(((4-Chlorophenyl)methyl)amino)-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-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.