4HS
Summary
| Name: | 5-bromopyridin-2(1H)-one |
| Formula: | C5 H4 Br N O |
| Formal charge: | 0 |
| Formula weight: | 173.995 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromopyridin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 5-bromanyl-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1NC(=O)C=CC=1Br |
| InChI | InChI | 1.03 | InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8) |
| InChIKey | InChI | 1.03 | NDMZZQRNZFWMEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrC1=CNC(=O)C=C1 |
| SMILES | CACTVS | 3.385 | BrC1=CNC(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1=CC(=O)NC=C1Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1=CC(=O)NC=C1Br |
