A1CWP
Summary
| Name: | 5-bromo-N-methylpyridine-2-carboxamide |
| Formula: | C7 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 215.047 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-bromo-N-methylpyridine-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-bromanyl-~{N}-methyl-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1cnc(cc1)C(=O)NC |
| InChI | InChI | 1.06 | InChI=1S/C7H7BrN2O/c1-9-7(11)6-3-2-5(8)4-10-6/h2-4H,1H3,(H,9,11) |
| InChIKey | InChI | 1.06 | OHYCXPXWHPWYFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccc(Br)cn1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccc(Br)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNC(=O)c1ccc(cn1)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNC(=O)c1ccc(cn1)Br |
