A1BE7
Summary
| Name: | (3R)-3-ethyl-1-(5-fluoropyridin-2-yl)pyrrolidin-3-ol |
| Formula: | C11 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 210.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-3-ethyl-1-(5-fluoropyridin-2-yl)pyrrolidin-3-ol |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-ethyl-1-(5-fluoranylpyridin-2-yl)pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1cnc(cc1)N1CCC(O)(C1)CC |
| InChI | InChI | 1.06 | InChI=1S/C11H15FN2O/c1-2-11(15)5-6-14(8-11)10-4-3-9(12)7-13-10/h3-4,7,15H,2,5-6,8H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | OIWCZMXIAXESKW-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@]1(O)CCN(C1)c2ccc(F)cn2 |
| SMILES | CACTVS | 3.385 | CC[C]1(O)CCN(C1)c2ccc(F)cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@]1(CCN(C1)c2ccc(cn2)F)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC1(CCN(C1)c2ccc(cn2)F)O |
