2-(Quinolin-2-yl)acetonitrile
TL;DR: 2-(Quinolin-2-yl)acetonitrile (CAS 14068-28-1) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-quinolin-2-ylacetonitrile
Also Known As: 2-(quinolin-2-yl)acetonitrile, 2-Quinolineacetonitrile, 2-quinolin-2-ylacetonitrile, 2-cyanomethylquinoline, 2-Quinolylacetonitrile
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2 |
| Molecular Weight | 168.06874 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06874 Da |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)CC#N |
| InChIKey | UNFOICLZNBECOR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Quinolin-2-yl)acetonitrile
Property Insights of 2-(Quinolin-2-yl)acetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Quinolin-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-(Quinolin-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Quinolin-2-yl)acetonitrile 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 2-(Quinolin-2-yl)acetonitrile?
The CAS number of 2-(Quinolin-2-yl)acetonitrile is 14068-28-1.
What is the molecular formula of 2-(Quinolin-2-yl)acetonitrile?
The molecular formula of 2-(Quinolin-2-yl)acetonitrile is C11H8N2.
What is the molecular weight of 2-(Quinolin-2-yl)acetonitrile?
The molecular weight of 2-(Quinolin-2-yl)acetonitrile is 168.06874 g/mol.
Where can I buy 2-(Quinolin-2-yl)acetonitrile?
You can request a quote for 2-(Quinolin-2-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Quinolin-2-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Quinolin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.