Q6C
Summary
| Name: | ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate |
| Formula: | C10 H11 Cl F N O3 |
| Formal charge: | 0 |
| Formula weight: | 247.651 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{S},3~{R})-3-(4-chloranylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccnc(c1)C(O)C(F)C(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C10H11ClFNO3/c1-2-16-10(15)8(12)9(14)7-5-6(11)3-4-13-7/h3-5,8-9,14H,2H2,1H3 |
| InChIKey | InChI | 1.03 | WYVKMXKNWISSSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](F)[C@H](O)c1cc(Cl)ccn1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](F)[CH](O)c1cc(Cl)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@H]([C@@H](c1cc(ccn1)Cl)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(C(c1cc(ccn1)Cl)O)F |
