TL;DR: Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]- (CAS 133792-94-6) is a chemical compound with molecular formula C14H10N2 and molecular weight 206.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-pyridin-4-ylethenyl)benzonitrile
Also Known As: 4-(2-pyridin-4-ylethenyl)benzonitrile, Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]-, 4-[2-(Pyridin-4-yl)ethen-1-yl]benzonitrile, (E)-4-[2-(4-pyridyl)ethenyl]benzenecarbonitrile
| Molecular Formula | C14H10N2 |
| Molecular Weight | 206.0844 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0844 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=NC=C2)C#N |
| InChIKey | SUCOKTGSBOUQAZ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]-. With a topological polar surface area (TPSA) of 36.7 Ų, Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]- is 133792-94-6.
The molecular formula of Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]- is C14H10N2.
The molecular weight of Benzonitrile, 4-[(1E)-2-(4-pyridinyl)ethenyl]- is 206.0844 g/mol.
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