U4D
Summary
| Name: | 5-(trifluoromethyl)pyridin-2-one |
| Formula: | C6 H4 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 163.097 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(trifluoromethyl)pyridin-2-ol |
| OpenEye OEToolkits | 2.0.7 | 5-(trifluoromethyl)pyridin-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cnc(O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11) |
| InChIKey | InChI | 1.06 | BYRJSCNPUHYZQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cn1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1ccc(cn1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(F)(F)F)O |
