A1CW0
Summary
| Name: | 2-bromo-5-chloropyridin-4(1H)-one |
| Formula: | C5 H3 Br Cl N O |
| Formal charge: | 0 |
| Formula weight: | 208.44 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-bromo-5-chloropyridin-4(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-bromanyl-5-chloranyl-1~{H}-pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | ClC1=CNC(Br)=CC1=O |
| InChI | InChI | 1.06 | InChI=1S/C5H3BrClNO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9) |
| InChIKey | InChI | 1.06 | CSRAUIQMWHYTRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClC1=CNC(=CC1=O)Br |
| SMILES | CACTVS | 3.385 | ClC1=CNC(=CC1=O)Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1=C(NC=C(C1=O)Cl)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1=C(NC=C(C1=O)Cl)Br |
