A1BJ4
Summary
| Name: | (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanol |
| Formula: | C7 H6 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 228.046 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanol |
| OpenEye OEToolkits | 3.1.0.0 | (6-bromanyl-1~{H}-imidazo[4,5-b]pyridin-2-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1cc2[NH]c(nc2nc1)CO |
| InChI | InChI | 1.06 | InChI=1S/C7H6BrN3O/c8-4-1-5-7(9-2-4)11-6(3-12)10-5/h1-2,12H,3H2,(H,9,10,11) |
| InChIKey | InChI | 1.06 | SRDOBLPQJXFKIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1[nH]c2cc(Br)cnc2n1 |
| SMILES | CACTVS | 3.385 | OCc1[nH]c2cc(Br)cnc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cnc2c1[nH]c(n2)CO)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cnc2c1[nH]c(n2)CO)Br |
