27Y
Summary
| Name: | 5-bromo-3-hydroxypyridin-2(1H)-one |
| Formula: | C5 H4 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.995 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-3-hydroxypyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-bromanyl-3-oxidanyl-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | BrC1=CNC(=O)C(O)=C1 |
| InChI | InChI | 1.03 | InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9) |
| InChIKey | InChI | 1.03 | KXBXUHWCODHRHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC(=CNC1=O)Br |
| SMILES | CACTVS | 3.385 | OC1=CC(=CNC1=O)Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC=C1Br)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC=C1Br)O |
