A1BT4
Summary
| Name: | 5-(difluoromethoxy)pyridin-2(1H)-one |
| Formula: | C6 H5 F2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.106 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-(difluoromethoxy)pyridin-2(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 5-[bis(fluoranyl)methoxy]-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1C=CC(OC(F)F)=CN1 |
| InChI | InChI | 1.06 | InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-3,6H,(H,9,10) |
| InChIKey | InChI | 1.06 | VRWFXRMPZMWPKH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)OC1=CNC(=O)C=C1 |
| SMILES | CACTVS | 3.385 | FC(F)OC1=CNC(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1=CC(=O)NC=C1OC(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1=CC(=O)NC=C1OC(F)F |
