PWL
Summary
| Name: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine |
| Formula: | C7 H6 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 212.047 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-1~{H}-pyrrolo[3,2-b]pyridin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc2[NH]ccc2nc1N |
| InChI | InChI | 1.03 | InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11) |
| InChIKey | InChI | 1.03 | KWMNCAVOUYPKNE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2cc[nH]c2cc1Br |
| SMILES | CACTVS | 3.385 | Nc1nc2cc[nH]c2cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1nc(c(c2)Br)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1nc(c(c2)Br)N |
