XWH
Summary
| Name: | 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine |
| Formula: | C9 H6 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 213.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine |
| OpenEye OEToolkits | 2.0.7 | 4-[3-(trifluoromethyl)-1~{H}-pyrazol-5-yl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc([NH]n1)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15) |
| InChIKey | InChI | 1.06 | NBMPNCPZAYFDRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc([nH]n1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cc([nH]n1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2cc(n[nH]2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2cc(n[nH]2)C(F)(F)F |
