RJ7
Summary
| Name: | ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate |
| Formula: | C10 H12 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 213.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate |
| OpenEye OEToolkits | 2.0.6 | ethyl (2~{S},3~{S})-2-fluoranyl-3-oxidanyl-3-pyridin-3-yl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cnccc1)C(C(C(OCC)=O)F)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | WQTYAHVCEJEKSU-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](F)[C@@H](O)c1cccnc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](F)[CH](O)c1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@H]([C@H](c1cccnc1)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C(C(c1cccnc1)O)F |
