| Compound Complexity | 204 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Allowed IUPAC Name | 2-(6-chloro-3-pyridyl)-2-methyl-propanenitrile |
| CAS-like Style IUPAC Name | 2-(6-chloro-3-pyridinyl)-2-methylpropanenitrile |
| Markup IUPAC Name | 2-(6-chloropyridin-3-yl)-2-methylpropanenitrile |
| Preferred IUPAC Name | 2-(6-chloropyridin-3-yl)-2-methylpropanenitrile |
| Systematic IUPAC Name | 2-(6-chloranylpyridin-3-yl)-2-methyl-propanenitrile |
| Traditional IUPAC Name | 2-(6-chloro-3-pyridyl)-2-methyl-propionitrile |
| Standard InChI | InChI=1S/C9H9ClN2/c1-9(2,6-11)7-3-4-8(10)12-5-7/h3-5H,1-2H3 |
| Standard InChIKey | OLSZBCJEVUIQNV-UHFFFAOYSA-N |
| XLogP3-AA Log P | 2.4 |
| Exact Mass | 180.0454260 |
| Molecular Weight | 180.63 |
| Canonical SMILES | CC(C)(C#N)C1=CN=C(C=C1)Cl |
| Isomeric SMILES | CC(C)(C#N)C1=CN=C(C=C1)Cl |
| Polar Surface Area Topological | 36.7 |
| MonoIsotopic Weight | 180.0454260 |
| Molecular Formula | C9H9ClN2 |
| Canonicalized Compound | 1 |
| Chemical Structure |  |
| Class | Specialty Materials |
