I2X
Summary
| Name: | 6-(difluoromethyl)pyrimidin-4-ol |
| Synonyms: | ISOTHIAZOLIDANONE ANALOGUE |
| Formula: | C5 H4 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 146.095 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(difluoromethyl)pyrimidin-4-ol |
| OpenEye OEToolkits | 2.0.7 | 6-[bis(fluoranyl)methyl]pyrimidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1cc(ncn1)C(F)F |
| InChI | InChI | 1.06 | InChI=1S/C5H4F2N2O/c6-5(7)3-1-4(10)9-2-8-3/h1-2,5H,(H,8,9,10) |
| InChIKey | InChI | 1.06 | CRXWFHCGXRAVCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ncn1)C(F)F |
| SMILES | CACTVS | 3.385 | Oc1cc(ncn1)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(ncnc1O)C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncnc1O)C(F)F |
