4VY
Summary
| Name: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL |
| Formula: | C8 H11 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 231.09 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(5-bromopyridin-2-yl)(methyl)amino]ethanol |
| OpenEye OEToolkits | 1.7.6 | 2-[(5-bromanylpyridin-2-yl)-methyl-amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cnc(N(C)CCO)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H11BrN2O/c1-11(4-5-12)8-3-2-7(9)6-10-8/h2-3,6,12H,4-5H2,1H3 |
| InChIKey | InChI | 1.03 | FWDPWBASDJULOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ccc(Br)cn1 |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ccc(Br)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(CCO)c1ccc(cn1)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(CCO)c1ccc(cn1)Br |
