2-(2-Phenylethynyl)pyridine
TL;DR: 2-(2-Phenylethynyl)pyridine (CAS 13141-42-9) is a chemical compound with molecular formula C13H9N and molecular weight 179.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-phenylethynyl)pyridine
Also Known As: 2-(2-Phenylethynyl)pyridine, 2-(Phenylethynyl)pyridine, Pyridylphenylazetylene, Pyridine,2-(2-phenylethynyl)-, 2-(2-Phenylethynyl)-pyridine
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9N |
| Molecular Weight | 179.0735 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.0735 Da |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC=N2 |
| InChIKey | RODTWUBQTXSTLJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Phenylethynyl)pyridine
Property Insights of 2-(2-Phenylethynyl)pyridine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Phenylethynyl)pyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 2-(2-Phenylethynyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Phenylethynyl)pyridine has 0 hydrogen bond donor(s) and 1 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-(2-Phenylethynyl)pyridine?
The CAS number of 2-(2-Phenylethynyl)pyridine is 13141-42-9.
What is the molecular formula of 2-(2-Phenylethynyl)pyridine?
The molecular formula of 2-(2-Phenylethynyl)pyridine is C13H9N.
What is the molecular weight of 2-(2-Phenylethynyl)pyridine?
The molecular weight of 2-(2-Phenylethynyl)pyridine is 179.0735 g/mol.
Where can I buy 2-(2-Phenylethynyl)pyridine?
You can request a quote for 2-(2-Phenylethynyl)pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Phenylethynyl)pyridine?
Yes, CoreyChem provides custom synthesis services for 2-(2-Phenylethynyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.