Q4K
Summary
| Name: | ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate |
| Formula: | C10 H11 Br F N O3 |
| Formal charge: | 0 |
| Formula weight: | 292.102 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11BrFNO3/c1-2-16-10(15)8(12)9(14)7-4-3-6(11)5-13-7/h3-5,8-9,14H,2H2,1H3/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | JAJULJUIZXJSOC-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](F)[C@H](O)c1ccc(Br)cn1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](F)[CH](O)c1ccc(Br)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(C(c1ccc(cn1)Br)O)F |
