C0J
Summary
| Name: | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile |
| Formula: | C14 H12 F N3 |
| Formal charge: | 0 |
| Formula weight: | 241.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 2-fluoranyl-6-(2-pyridin-2-ylethylamino)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(C#N)c(NCCc1ccccn1)cccc2F |
| InChI | InChI | 1.03 | InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2 |
| InChIKey | InChI | 1.03 | YVRWCTBZWMJROU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(NCCc2ccccn2)c1C#N |
| SMILES | CACTVS | 3.385 | Fc1cccc(NCCc2ccccn2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CCNc2cccc(c2C#N)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CCNc2cccc(c2C#N)F |
