INO
Summary
| Name: | 2-HYDROXYISONICOTINIC ACID N-OXIDE |
| Formula: | C6 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 155.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-hydroxypyridine-4-carboxylic acid 1-oxide |
| OpenEye OEToolkits | 1.5.0 | 2-hydroxy-1-oxido-pyridin-1-ium-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc[n+]([O-])c(O)c1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc[n+]([O-])c(O)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc[n+]([O-])c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[n+](c(cc1C(=O)O)O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[n+](c(cc1C(=O)O)O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO4/c8-5-3-4(6(9)10)1-2-7(5)11/h1-3,8H,(H,9,10) |
| InChIKey | InChI | 1.03 | OFOAWMIVKVXKCO-UHFFFAOYSA-N |
