A1I77
Summary
| Name: | 5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid |
| Formula: | C9 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.633 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9ClN2O2/c10-7-4-11-8(12-5-1-2-5)3-6(7)9(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | NCSZLPPRCHEMOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(NC2CC2)ncc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(NC2CC2)ncc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1NC2CC2)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1NC2CC2)Cl)C(=O)O |
