3-Cyanopyridine
TL;DR: 3-Cyanopyridine (CAS 100-54-9) 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-3-carbonitrile
Also Known As: 3-cyanopyridine, Nicotinonitrile, pyridine-3-carbonitrile, 3-PYRIDINECARBONITRILE, 3-Pyridinenitrile
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2 |
| Molecular Weight | 104.037445 g/mol |
| XLogP | 0.2 |
| 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 | 111.0 |
| Melting Point | 51 °C |
| Boiling Point | 206.9 °C |
| Density | 1.1590 @ 25 °C |
| Flash Point | 87 °C |
| Vapor Pressure | 0.29 [mmHg] |
| Solubility | Soluble in hot petroleum ether |
| SMILES | C1=CC(=CN=C1)C#N |
| InChIKey | GZPHSAQLYPIAIN-UHFFFAOYSA-N |
Product Description
Applications: 3-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 3-Cyanopyridine (CAS 100-54-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Cyanopyridine is a heterocyclic building block identified by CAS number 100-54-9 and the molecular formula C6H4N2 and a molecular weight of 104.04 g/mol. Physically, the compound has a density of 1.1590 @ 25 °C g/cm³, a solubility: Soluble in hot petroleum ether. It is also known as 3-cyanopyridine and Nicotinonitrile.
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 3-Cyanopyridine
Property Insights of 3-Cyanopyridine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyanopyridine. With a topological polar surface area (TPSA) of 36.7 Ų, 3-Cyanopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Cyanopyridine?
The CAS number of 3-Cyanopyridine is 100-54-9.
What is the molecular formula of 3-Cyanopyridine?
The molecular formula of 3-Cyanopyridine is C6H4N2.
What is the molecular weight of 3-Cyanopyridine?
The molecular weight of 3-Cyanopyridine is 104.037445 g/mol.
What are the applications of 3-Cyanopyridine?
3-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 3-Cyanopyridine (CAS 100-54-9) with...
Where can I buy 3-Cyanopyridine?
You can request a quote for 3-Cyanopyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyanopyridine?
Yes, CoreyChem provides custom synthesis services for 3-Cyanopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.