4-(Pyridin-3-yl)benzonitrile
TL;DR: 4-(Pyridin-3-yl)benzonitrile (CAS 294648-03-6) is a chemical compound with molecular formula C12H8N2 and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyridin-3-ylbenzonitrile
Also Known As: 4-(pyridin-3-yl)benzonitrile, 4-(3-pyridyl)benzonitrile, 4-pyridin-3-ylbenzonitrile, 4-(3-pyridinyl)benzonitrile, Benzonitrile, 4-(3-pyridinyl)-
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.62028 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.06874 |
| Heavy Atoms | 14 |
| Complexity | 451.93045 |
Chemical Identifiers
| CAS Number | 294648-03-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=CC=C(C=C2)C#N |
Product Overview
4-(Pyridin-3-yl)benzonitrile (CAS 294648-03-6), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 4-pyridin-3-ylbenzonitrile.
Chemical Property Profile of 4-(Pyridin-3-yl)benzonitrile
Property Insights of 4-(Pyridin-3-yl)benzonitrile
The XLogP value of 2.62028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyridin-3-yl)benzonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 4-(Pyridin-3-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyridin-3-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
Frequently Asked Questions
What is the CAS number of 4-(Pyridin-3-yl)benzonitrile?
The CAS number of 4-(Pyridin-3-yl)benzonitrile is 294648-03-6.
What is the molecular formula of 4-(Pyridin-3-yl)benzonitrile?
The molecular formula of 4-(Pyridin-3-yl)benzonitrile is C12H8N2.
What is the molecular weight of 4-(Pyridin-3-yl)benzonitrile?
The molecular weight of 4-(Pyridin-3-yl)benzonitrile is 180.07 g/mol.
Where can I buy 4-(Pyridin-3-yl)benzonitrile?
You can request a quote for 4-(Pyridin-3-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyridin-3-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyridin-3-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.