2-Ethylisonicotinonitrile
TL;DR: 2-Ethylisonicotinonitrile (CAS 1531-18-6) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylpyridine-4-carbonitrile
Also Known As: 2-Ethylisonicotinonitrile, 2-ethylpyridine-4-carbonitrile, 4-Cyano-2-ethylpyridine, 2-Ethyl-4-cyanopyridine, 2-ethyl-isonicotinonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8N2 |
| Molecular Weight | 132.06874 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 Da |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
| SMILES | CCC1=NC=CC(=C1)C#N |
| InChIKey | WERAOGVQORFBMU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylisonicotinonitrile
Property Insights of 2-Ethylisonicotinonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylisonicotinonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Ethylisonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylisonicotinonitrile 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-Ethylisonicotinonitrile?
The CAS number of 2-Ethylisonicotinonitrile is 1531-18-6.
What is the molecular formula of 2-Ethylisonicotinonitrile?
The molecular formula of 2-Ethylisonicotinonitrile is C8H8N2.
What is the molecular weight of 2-Ethylisonicotinonitrile?
The molecular weight of 2-Ethylisonicotinonitrile is 132.06874 g/mol.
Where can I buy 2-Ethylisonicotinonitrile?
You can request a quote for 2-Ethylisonicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylisonicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Ethylisonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.