ZZ0
Summary
| Name: | 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID |
| Synonyms: | 2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID |
| Formula: | C12 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 248.665 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)Nc2ncccc2C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1cccnc1Nc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.352 | OC(=O)c1cccnc1Nc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | YEXIXVLEDGNAKM-UHFFFAOYSA-N |
