A1ABF
Summary
| Name: | 4-[(pyridin-2-yl)oxy]benzonitrile |
| Formula: | C12 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(pyridin-2-yl)oxy]benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 4-pyridin-2-yloxybenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)Oc1ccccn1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H |
| InChIKey | InChI | 1.06 | ZVQAOOXNUVKQML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(Oc2ccccn2)cc1 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(Oc2ccccn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Oc2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Oc2ccc(cc2)C#N |
