A1BE8
Summary
| Name: | (1r,3r)-3-[(3-fluoropyridin-2-yl)amino]-1-methylcyclobutan-1-ol |
| Formula: | C10 H13 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1r,3r)-3-[(3-fluoropyridin-2-yl)amino]-1-methylcyclobutan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 3-[(3-fluoranylpyridin-2-yl)amino]-1-methyl-cyclobutan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1(O)CC(Nc2ncccc2F)C1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13FN2O/c1-10(14)5-7(6-10)13-9-8(11)3-2-4-12-9/h2-4,7,14H,5-6H2,1H3,(H,12,13)/t7-,10+ |
| InChIKey | InChI | 1.06 | URAQAFQZSFUVGH-WKFQBHICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(O)C[C@@H](C1)Nc2ncccc2F |
| SMILES | CACTVS | 3.385 | C[C]1(O)C[CH](C1)Nc2ncccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1(CC(C1)Nc2c(cccn2)F)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(CC(C1)Nc2c(cccn2)F)O |
