2-Chloro-6-methylpyridine-3,4-dicarbonitrile
TL;DR: 2-Chloro-6-methylpyridine-3,4-dicarbonitrile (CAS 95058-94-9) is a chemical compound with molecular formula C8H4ClN3 and molecular weight 177.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-methylpyridine-3,4-dicarbonitrile
Also Known As: 2-chloro-6-methylpyridine-3,4-dicarbonitrile, 6-methyl-2-chloro-3,4-dicyanopyridine, 3,4-Pyridinedicarbonitrile, 2-chloro-6-methyl-, RefChem:259137
| Molecular Formula | C8H4ClN3 |
|---|---|
| Molecular Weight | 177.01 g/mol |
| LogP | 1.78678 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.00937 |
| Heavy Atoms | 12 |
| Complexity | 397.9896 |
Chemical Identifiers
| CAS Number | 95058-94-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)Cl)C#N)C#N |
Product Overview
2-Chloro-6-methylpyridine-3,4-dicarbonitrile (CAS 95058-94-9), with molecular formula C8H4ClN3 and molecular weight 177.01 g/mol. IUPAC: 2-chloro-6-methylpyridine-3,4-dicarbonitrile.
Chemical Property Profile of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile
Property Insights of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile
The XLogP value of 1.78678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-methylpyridine-3,4-dicarbonitrile. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-6-methylpyridine-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 2-Chloro-6-methylpyridine-3,4-dicarbonitrile 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-Chloro-6-methylpyridine-3,4-dicarbonitrile?
The CAS number of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile is 95058-94-9.
What is the molecular formula of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile?
The molecular formula of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile is C8H4ClN3.
What is the molecular weight of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile?
The molecular weight of 2-Chloro-6-methylpyridine-3,4-dicarbonitrile is 177.01 g/mol.
Where can I buy 2-Chloro-6-methylpyridine-3,4-dicarbonitrile?
You can request a quote for 2-Chloro-6-methylpyridine-3,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-methylpyridine-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-methylpyridine-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.