8JW
Summary
| Name: | 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one |
| Formula: | C6 H5 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 178.112 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12) |
| InChIKey | InChI | 1.03 | UKJVAYOQXPDMHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=CC(=CNC1=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NC1=CC(=CNC1=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=C(C(=O)NC=C1C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=C(C(=O)NC=C1C(F)(F)F)N |
