A1I83
Summary
| Name: | 5-bromanyl-1~{H}-pyrrolo[2,3-b]pyridine |
| Formula: | C7 H5 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 197.032 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.06 | LPTVWZSQAIDCEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cnc2[nH]ccc2c1 |
| SMILES | CACTVS | 3.385 | Brc1cnc2[nH]ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1cc(cn2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1cc(cn2)Br |
