A1CPZ
Summary
| Name: | 6-bromo-1H-indole-2-carboxamide |
| Formula: | C9 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 239.069 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-bromo-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 6-bromanyl-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1cc2ccc(Br)cc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7BrN2O/c10-6-2-1-5-3-8(9(11)13)12-7(5)4-6/h1-4,12H,(H2,11,13) |
| InChIKey | InChI | 1.06 | JSCKWINVIDGYFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1[nH]c2cc(Br)ccc2c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1[nH]c2cc(Br)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)C(=O)N)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)C(=O)N)Br |
