A1CFX
Summary
| Name: | 3-{[(pyridin-2-yl)amino]methyl}phenol |
| Formula: | C12 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 200.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-{[(pyridin-2-yl)amino]methyl}phenol |
| OpenEye OEToolkits | 3.1.0.0 | 3-[(pyridin-2-ylamino)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cccc(CNc2ccccn2)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2O/c15-11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-8,15H,9H2,(H,13,14) |
| InChIKey | InChI | 1.06 | ZGLJYAOGVJLKLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CNc2ccccn2)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(CNc2ccccn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccnc(c1)NCc2cccc(c2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccnc(c1)NCc2cccc(c2)O |
