Q3O
Summary
| Name: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| Formula: | C6 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 155.108 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1=C(NC=CC1=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11) |
| InChIKey | InChI | 1.03 | NLNJLZRQHDZFBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=CN1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CNC(=C(C1=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CNC(=C(C1=O)O)C(=O)O |
