1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
TL;DR: 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 72567-46-5) is a chemical compound with molecular formula C8H6F3N3O and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 1-amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 1-amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile, 1-amino-6-methyl-2-oxo-4-(trifluoromethyl)hydropyridine-3-carbonitrile
| Molecular Formula | C8H6F3N3O |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.0463 |
| Heavy Atoms | 15 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 72567-46-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1N)C#N)C(F)(F)F |
| InChIKey | ZOXVCMNBTRKCKZ-UHFFFAOYSA-N |
Product Overview
1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 72567-46-5), with molecular formula C8H6F3N3O and molecular weight 217.05 g/mol. IUPAC: 1-amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
Property Insights of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 6 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 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 72567-46-5.
What is the molecular formula of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is C8H6F3N3O.
What is the molecular weight of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 217.05 g/mol.
Where can I buy 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.