A1I22
Summary
| Name: | 2-(trifluoromethyl)-3~{H}-pyridin-6-one |
| Formula: | C6 H4 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 163.097 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(trifluoromethyl)-3~{H}-pyridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1,3H,2H2 |
| InChIKey | InChI | 1.06 | GEAZDKVRHATOJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C1=NC(=O)C=CC1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C1=NC(=O)C=CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C=CC(=O)N=C1C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C=CC(=O)N=C1C(F)(F)F |
