2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile
TL;DR: 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile (CAS 99972-99-3) is a chemical compound with molecular formula C11H9N3 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedinitrile
Also Known As: J1.386.249D, J2.349.334I, 2-(1-Methylpyridinium-4-yl)vinyldicyanomethanide, 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile, 2-[1-Methylpyridine-4(1H)-ylidene]ethylidenemalononitrile
| Molecular Formula | C11H9N3 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.85916 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.07965 |
| Heavy Atoms | 14 |
| Complexity | 378.79404 |
Chemical Identifiers
| CAS Number | 99972-99-3 |
|---|---|
| SMILES | CN1C=CC(=CC=C(C#N)C#N)C=C1 |
Product Overview
2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile (CAS 99972-99-3), with molecular formula C11H9N3 and molecular weight 183.08 g/mol. IUPAC: 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedinitrile.
Chemical Property Profile of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile
Property Insights of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile
The XLogP value of 1.85916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile has 0 hydrogen bond donor(s) and 3 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 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile?
The CAS number of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile is 99972-99-3.
What is the molecular formula of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile?
The molecular formula of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile is C11H9N3.
What is the molecular weight of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile?
The molecular weight of 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile is 183.08 g/mol.
Where can I buy 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile?
You can request a quote for 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.