5-Amino-4,6-dimethyl-nicotinonitrile
TL;DR: 5-Amino-4,6-dimethyl-nicotinonitrile (CAS 40548-90-1) is a chemical compound with molecular formula C8H9N3 and molecular weight 147.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 4-Bromonicotinic acid, 5-Amino-4,6-dimethyl-nicotinonitrile, 5-amino-4,6-dimethylnicotinonitrile, 5-amino-4,6-dimethylpyridine-3-carbonitrile, 3-Amino-2,4-dimethyl-5-cyan-pyridin
| Molecular Formula | C8H9N3 |
|---|---|
| Molecular Weight | 147.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.07965 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 40548-90-1 |
|---|---|
| SMILES | CC1=C(C(=NC=C1C#N)C)N |
| InChIKey | XQKOOEDXDWXHHV-UHFFFAOYSA-N |
Product Overview
5-Amino-4,6-dimethyl-nicotinonitrile (CAS 40548-90-1), with molecular formula C8H9N3 and molecular weight 147.08 g/mol. IUPAC: 5-amino-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Amino-4,6-dimethyl-nicotinonitrile
Property Insights of 5-Amino-4,6-dimethyl-nicotinonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4,6-dimethyl-nicotinonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4,6-dimethyl-nicotinonitrile. Following Lipinski's Rule of Five, 5-Amino-4,6-dimethyl-nicotinonitrile has 1 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 5-Amino-4,6-dimethyl-nicotinonitrile?
The CAS number of 5-Amino-4,6-dimethyl-nicotinonitrile is 40548-90-1.
What is the molecular formula of 5-Amino-4,6-dimethyl-nicotinonitrile?
The molecular formula of 5-Amino-4,6-dimethyl-nicotinonitrile is C8H9N3.
What is the molecular weight of 5-Amino-4,6-dimethyl-nicotinonitrile?
The molecular weight of 5-Amino-4,6-dimethyl-nicotinonitrile is 147.08 g/mol.
Where can I buy 5-Amino-4,6-dimethyl-nicotinonitrile?
You can request a quote for 5-Amino-4,6-dimethyl-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4,6-dimethyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4,6-dimethyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.