YB6
Summary
| Name: | N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide |
| Formula: | C15 H11 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 254.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-[2-(4-fluorophenyl)ethynyl]pyridin-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1ccc(cn1)C#Cc1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H11FN2O/c1-11(19)18-15-9-6-13(10-17-15)3-2-12-4-7-14(16)8-5-12/h4-10H,1H3,(H,17,18,19) |
| InChIKey | InChI | 1.06 | RQNJAESPZDCRIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cn1)C#Cc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cn1)C#Cc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cn1)C#Cc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cn1)C#Cc2ccc(cc2)F |
