R6X
Summary
| Name: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| Formula: | C6 H4 Br N O4 |
| Formal charge: | 0 |
| Formula weight: | 234.004 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1=C(NC(Br)=CC1=O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12) |
| InChIKey | InChI | 1.06 | PCMDXAXSHBWBAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=C(Br)N1 |
| SMILES | CACTVS | 3.385 | OC(=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)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)C(=O)O)Br |
