4-Cyanopyridine
TL;DR: 4-Cyanopyridine (CAS 100-48-1) is a chemical compound with molecular formula C6H4N2 and molecular weight 104.037445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridine-4-carbonitrile
Also Known As: 4-CYANOPYRIDINE, Isonicotinonitrile, 4-Pyridinecarbonitrile, pyridine-4-carbonitrile, 4-Pyridinenitrile
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2 |
| Molecular Weight | 104.037445 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.037445 Da |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
| Vapor Pressure | 0.31 [mmHg] |
| SMILES | C1=CN=CC=C1C#N |
| InChIKey | GPHQHTOMRSGBNZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Cyanopyridine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Cyanopyridine (CAS 100-48-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Cyanopyridine is a heterocyclic building block identified by CAS number 100-48-1 and the molecular formula C6H4N2 and a molecular weight of 104.04 g/mol. It is also known as 4-CYANOPYRIDINE and Isonicotinonitrile.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Cyanopyridine
Property Insights of 4-Cyanopyridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanopyridine. With a topological polar surface area (TPSA) of 36.7 Ų, 4-Cyanopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanopyridine 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-Cyanopyridine?
The CAS number of 4-Cyanopyridine is 100-48-1.
What is the molecular formula of 4-Cyanopyridine?
The molecular formula of 4-Cyanopyridine is C6H4N2.
What is the molecular weight of 4-Cyanopyridine?
The molecular weight of 4-Cyanopyridine is 104.037445 g/mol.
What are the applications of 4-Cyanopyridine?
4-Cyanopyridine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Cyanopyridine (CAS 100-48-1) with...
Where can I buy 4-Cyanopyridine?
You can request a quote for 4-Cyanopyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyanopyridine?
Yes, CoreyChem provides custom synthesis services for 4-Cyanopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.