Pyridine-2-carbonitrile
TL;DR: Pyridine-2-carbonitrile (CAS 100-70-9) is a chemical compound with molecular formula C6H4N2 and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridine-2-carbonitrile
Also Known As: 2-Cyanopyridine, Picolinonitrile, Pyridine-2-carbonitrile, 2-PYRIDINECARBONITRILE, Pyridinecarbonitrile
| Molecular Formula | C6H4N2 |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.037445 |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
| Melting Point | 29 °C |
| Boiling Point | 224.5 °C |
| Density | 1.0810 @ 25 °C |
| Solubility | Soluble in water, alcohol, ether, and benzene. |
| Vapor Pressure | 0.09 [mmHg] |
| Refractive Index | 1.5242 @ 25 °C |
Chemical Identifiers
| CAS Number | 100-70-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C#N |
| InChIKey | FFNVQNRYTPFDDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine-2-carbonitrile (CAS 100-70-9), with molecular formula C6H4N2 and molecular weight 104.04 g/mol. IUPAC: pyridine-2-carbonitrile.
Chemical Property Profile of Pyridine-2-carbonitrile
Property Insights of Pyridine-2-carbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine-2-carbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, Pyridine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine-2-carbonitrile 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 Pyridine-2-carbonitrile?
The CAS number of Pyridine-2-carbonitrile is 100-70-9.
What is the molecular formula of Pyridine-2-carbonitrile?
The molecular formula of Pyridine-2-carbonitrile is C6H4N2.
What is the molecular weight of Pyridine-2-carbonitrile?
The molecular weight of Pyridine-2-carbonitrile is 104.04 g/mol.
Where can I buy Pyridine-2-carbonitrile?
You can request a quote for Pyridine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Pyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.