JA3
Summary
| Name: | 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol |
| Formula: | C13 H11 F2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 251.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol |
| OpenEye OEToolkits | 1.7.6 | 5-ethyl-4-fluoranyl-2-(2-fluoranylpyridin-3-yl)oxy-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2ncccc2Oc1cc(F)c(cc1O)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H11F2NO2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3 |
| InChIKey | InChI | 1.03 | BJEMGBNLIALWCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(O)c(Oc2cccnc2F)cc1F |
| SMILES | CACTVS | 3.385 | CCc1cc(O)c(Oc2cccnc2F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1cc(c(cc1F)Oc2cccnc2F)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1cc(c(cc1F)Oc2cccnc2F)O |
