R6O
Summary
| Name: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile |
| Formula: | C6 H3 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 215.004 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1=C(C#N)NC(Br)=CC1=O |
| InChI | InChI | 1.06 | InChI=1S/C6H3BrN2O2/c7-5-1-4(10)6(11)3(2-8)9-5/h1,11H,(H,9,10) |
| InChIKey | InChI | 1.06 | KEYHJKGQZKFPDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(NC(=CC1=O)Br)C#N |
| SMILES | CACTVS | 3.385 | OC1=C(NC(=CC1=O)Br)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)C#N)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)C#N)Br |
