LQ3
Summary
| Name: | (5S)-5-(difluoromethoxy)pyridin-2(5H)-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 | 12.01 | (5S)-5-(difluoromethoxy)pyridin-2(5H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-[bis(fluoranyl)methoxy]-3~{H}-pyridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=CC(OC(F)F)C=N1 |
| InChI | InChI | 1.03 | InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | LTVXNUWMTTYHRL-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)O[C@H]1C=CC(=O)N=C1 |
| SMILES | CACTVS | 3.385 | FC(F)O[CH]1C=CC(=O)N=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)N=CC1OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)N=CC1OC(F)F |
