PQO
Summary
| Name: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide |
| Formula: | C6 H5 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 233.019 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1=C(NC(Br)=CC1=O)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H5BrN2O3/c7-3-1-2(10)5(11)4(9-3)6(8)12/h1,11H,(H2,8,12)(H,9,10) |
| InChIKey | InChI | 1.03 | WVSCZJMUZSYCEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C1=C(O)C(=O)C=C(Br)N1 |
| SMILES | CACTVS | 3.385 | NC(=O)C1=C(O)C(=O)C=C(Br)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)C(=O)N)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)C(=O)N)Br |
