5-Bromo-2-chloro-4,6-dimethylnicotinonitrile
TL;DR: 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile (CAS 42951-71-3) is a chemical compound with molecular formula C8H6BrClN2 and molecular weight 243.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-chloro-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile, 5-bromo-2-chloro-4,6-dimethylpyridine-3-carbonitrile, bromochlorodimethylnicotinonitrile, (E)-1-(BUT-1-ENYL)CYCLOPROPANAMINE, 4CH-021602
| Molecular Formula | C8H6BrClN2 |
|---|---|
| Molecular Weight | 243.94 g/mol |
| LogP | 2.98602 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.94029 |
| Heavy Atoms | 12 |
| Complexity | 368.30112 |
Chemical Identifiers
| CAS Number | 42951-71-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1Br)C)Cl)C#N |
Product Overview
5-Bromo-2-chloro-4,6-dimethylnicotinonitrile (CAS 42951-71-3), with molecular formula C8H6BrClN2 and molecular weight 243.94 g/mol. IUPAC: 5-bromo-2-chloro-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile
Property Insights of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile
The XLogP value of 2.98602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile 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-Bromo-2-chloro-4,6-dimethylnicotinonitrile?
The CAS number of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile is 42951-71-3.
What is the molecular formula of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile?
The molecular formula of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile is C8H6BrClN2.
What is the molecular weight of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile?
The molecular weight of 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile is 243.94 g/mol.
Where can I buy 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile?
You can request a quote for 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.