O0G
Summary
| Name: | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-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 | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[(5-chloranyl-3-fluoranyl-pyridin-2-yl)amino]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(cc(c1)Cl)F)NC(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | FDEYPUQCROENJQ-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)Nc1ncc(Cl)cc1F |
| SMILES | CACTVS | 3.385 | C[CH](CO)Nc1ncc(Cl)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CO)Nc1c(cc(cn1)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CO)Nc1c(cc(cn1)Cl)F |
