LKL
Summary
| Name: | 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol |
| Formula: | C8 H10 Cl F N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.629 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2-[(5-chloranyl-3-fluoranyl-pyridin-2-yl)-methyl-amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(Cl)cnc1N(C)CCO |
| InChI | InChI | 1.03 | InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3 |
| InChIKey | InChI | 1.03 | WBIQOAOWXPGYEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ncc(Cl)cc1F |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ncc(Cl)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1c(cc(cn1)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1c(cc(cn1)Cl)F |
