5-Ethylnicotinonitrile
TL;DR: 5-Ethylnicotinonitrile (CAS 61391-07-9) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylpyridine-3-carbonitrile
Also Known As: 5-Ethylnicotinonitrile, 5-ethylpyridine-3-carbonitrile, 3-cyano-5-ethylpyridine, 3-Pyridinecarbonitrile, 5-ethyl-, InChI=1/C8H8N2/c1-2-7-3-8(4-9)6-10-5-7/h3,5-6H,2H2,1H
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.51568 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 260.20526 |
Chemical Identifiers
| CAS Number | 61391-07-9 |
|---|---|
| SMILES | CCC1=CC(=CN=C1)C#N |
Product Overview
5-Ethylnicotinonitrile (CAS 61391-07-9), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 5-ethylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Ethylnicotinonitrile
Property Insights of 5-Ethylnicotinonitrile
The XLogP value of 1.51568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethylnicotinonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 5-Ethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethylnicotinonitrile 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 5-Ethylnicotinonitrile?
The CAS number of 5-Ethylnicotinonitrile is 61391-07-9.
What is the molecular formula of 5-Ethylnicotinonitrile?
The molecular formula of 5-Ethylnicotinonitrile is C8H8N2.
What is the molecular weight of 5-Ethylnicotinonitrile?
The molecular weight of 5-Ethylnicotinonitrile is 132.07 g/mol.
Where can I buy 5-Ethylnicotinonitrile?
You can request a quote for 5-Ethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.