A1II3
Summary
| Name: | [3-[(5-bromanylpyridin-3-yl)methylamino]phenyl]methanol |
| Formula: | C13 H13 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 293.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-[(5-bromanylpyridin-3-yl)methylamino]phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13BrN2O/c14-12-4-11(6-15-8-12)7-16-13-3-1-2-10(5-13)9-17/h1-6,8,16-17H,7,9H2 |
| InChIKey | InChI | 1.06 | ZSRUKYFBDGVFQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1cccc(NCc2cncc(Br)c2)c1 |
| SMILES | CACTVS | 3.385 | OCc1cccc(NCc2cncc(Br)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NCc2cc(cnc2)Br)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NCc2cc(cnc2)Br)CO |
