O0V
Summary
| Name: | (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol |
| Formula: | C9 H13 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 184.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[(3-fluoranylpyridin-2-yl)-methyl-amino]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N(C(C)CO)C)c(ccc1)F |
| InChI | InChI | 1.03 | InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | FOQPKOCSXTYZBW-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)N(C)c1ncccc1F |
| SMILES | CACTVS | 3.385 | C[CH](CO)N(C)c1ncccc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CO)N(C)c1c(cccn1)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CO)N(C)c1c(cccn1)F |
