4-(Pyridin-4-yl)benzonitrile
TL;DR: 4-(Pyridin-4-yl)benzonitrile (CAS 144397-70-6) is a chemical compound with molecular formula C12H8N2 and molecular weight 180.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyridin-4-ylbenzonitrile
Also Known As: 4-(Pyridin-4-yl)benzonitrile, 4-(4-pyridyl)benzonitrile, 4-pyridin-4-ylbenzonitrile, 4-(4-pyridinyl)benzonitrile, Benzonitrile, 4-(4-pyridinyl)-
Technical Specifications
| Molecular Formula | C12H8N2 |
| Molecular Weight | 180.06874 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.06874 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=NC=C2 |
| InChIKey | FAEOEJIIPHVFLT-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Pyridin-4-yl)benzonitrile
Property Insights of 4-(Pyridin-4-yl)benzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyridin-4-yl)benzonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 4-(Pyridin-4-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyridin-4-yl)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Pyridin-4-yl)benzonitrile?
The CAS number of 4-(Pyridin-4-yl)benzonitrile is 144397-70-6.
What is the molecular formula of 4-(Pyridin-4-yl)benzonitrile?
The molecular formula of 4-(Pyridin-4-yl)benzonitrile is C12H8N2.
What is the molecular weight of 4-(Pyridin-4-yl)benzonitrile?
The molecular weight of 4-(Pyridin-4-yl)benzonitrile is 180.06874 g/mol.
Where can I buy 4-(Pyridin-4-yl)benzonitrile?
You can request a quote for 4-(Pyridin-4-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Pyridin-4-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Pyridin-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.