K6R
Summary
| Name: | 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile |
| Formula: | C13 H10 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 243.692 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17) |
| InChIKey | InChI | 1.06 | CITZANXHXWMHOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1nccc(NCc2ccccc2)c1C#N |
| SMILES | CACTVS | 3.385 | Clc1nccc(NCc2ccccc2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2ccnc(c2C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2ccnc(c2C#N)Cl |
