A1CW3
Summary
| Name: | (2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine |
| Formula: | C9 H6 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 213.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine |
| OpenEye OEToolkits | 3.1.0.0 | 2-imidazol-1-yl-5-(trifluoromethyl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1cnc(cc1)n1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6F3N3/c10-9(11,12)7-1-2-8(14-5-7)15-4-3-13-6-15/h1-6H |
| InChIKey | InChI | 1.06 | BEHWGLUHEGUQRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc(nc1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc(nc1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1C(F)(F)F)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1C(F)(F)F)n2ccnc2 |
