2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
Also Known As: Nicotinic acid, 2-(p-chlorobenzylamino)-|2-(p-Chlorobenzylamino)nicotinic acid|S 217|2-(4-Chlorobenzylamino)nicotinic acid|2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid|2-(4-chlorobenzylamino)-nicotinic acid|2-((4-Chlorobenzyl)amino)nicotinic acid|S-218|5-22-13-00601 (Beilstein Handbook Reference)|2-[(4-chlorobenzyl)amino]pyridine-3-carboxylic acid|2-{[(4-CHLOROPHENYL)METHYL]AMINO}PYRIDINE-3-CARBOXYLIC ACID|2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.0509 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 |
| Monoisotopic 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 262.0509 g/mol. IUPAC: 2-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid.