6NM
Summary
| Name: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine |
| Formula: | C15 H10 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 289.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21) |
| InChIKey | InChI | 1.03 | UZOPNNYVHHABCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3 |
