A1D73
Summary
| Name: | 4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridine |
| Formula: | C8 H6 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 224.057 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-1-3-10-4-2-6/h1-5H,(H,11,12) |
| InChIKey | InChI | 1.06 | LKKNQJJSEMQTHQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1c[nH]nc1c2ccncc2 |
| SMILES | CACTVS | 3.385 | Brc1c[nH]nc1c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2c(c[nH]n2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2c(c[nH]n2)Br |
