A1CO3
Summary
| Name: | (2S)-3-{methyl[5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol |
| Formula: | C10 H13 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 250.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-3-{methyl[5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-3-[methyl-[5-(trifluoromethyl)pyridin-2-yl]amino]propane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(CC(O)CO)c1ccc(cn1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C10H13F3N2O2/c1-15(5-8(17)6-16)9-3-2-7(4-14-9)10(11,12)13/h2-4,8,16-17H,5-6H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | AWRMUKORMDWBSJ-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C[C@H](O)CO)c1ccc(cn1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CN(C[CH](O)CO)c1ccc(cn1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C[C@@H](CO)O)c1ccc(cn1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(CC(CO)O)c1ccc(cn1)C(F)(F)F |
