2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile
TL;DR: 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile (CAS 18872-63-4) is a chemical compound with molecular formula C9H9ClN2O and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Also Known As: 2-chloro-4-(methoxymethyl)-6-methylnicotinonitrile, ChemDiv3_003013, 2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile, BAS 00119232, 2-chloro-3-cyano-4-methoxymethyl-6-methylpyridine
| Molecular Formula | C9H9ClN2O |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.04034 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 18872-63-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)Cl)C#N)COC |
| InChIKey | GDXUBECJUMIXLN-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile (CAS 18872-63-4), with molecular formula C9H9ClN2O and molecular weight 196.04 g/mol. IUPAC: 2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile
Property Insights of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile. With a topological polar surface area (TPSA) of 45.9 Ų, 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile 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-4-(methoxymethyl)-6-methylnicotinonitrile?
The CAS number of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile is 18872-63-4.
What is the molecular formula of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile?
The molecular formula of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile is C9H9ClN2O.
What is the molecular weight of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile?
The molecular weight of 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile is 196.04 g/mol.
Where can I buy 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile?
You can request a quote for 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(methoxymethyl)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.