A1BL5
Summary
| Name: | 5,6-diaminopyridine-3-carboxylic acid |
| Formula: | C6 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 153.139 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5,6-diaminopyridine-3-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 5,6-bis(azanyl)pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1cc(cnc1N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11) |
| InChIKey | InChI | 1.06 | AMUTYVGRCVFCCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(cnc1N)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cc(cnc1N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cnc(c1N)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cnc(c1N)N)C(=O)O |
