VXB
Summary
| Name: | 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide |
| Formula: | C9 H11 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 259.1 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-~{N}-(2-methoxyethyl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCOC)c1cncc(Br)c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.06 | QOVBXIIYBOEIMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)c1cncc(Br)c1 |
| SMILES | CACTVS | 3.385 | COCCNC(=O)c1cncc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)c1cc(cnc1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)c1cc(cnc1)Br |
