2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
TL;DR: 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 33544-02-4) is a chemical compound with molecular formula C11H5F3N2OS and molecular weight 270.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-hydroxy-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile, Maybridge1_006155, 3-cyano-6-(2-thienyl)-4-trifluoromethyl-2(1h)-pyridone, 2-Hydroxy-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile, 2-oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C11H5F3N2OS |
|---|---|
| Molecular Weight | 270.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.00748 |
| Heavy Atoms | 18 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 33544-02-4 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F |
| InChIKey | UBBGOCKMIMCHLZ-UHFFFAOYSA-N |
Product Overview
2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 33544-02-4), with molecular formula C11H5F3N2OS and molecular weight 270.01 g/mol. IUPAC: 2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
Property Insights of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-Oxo-6-(thiophen-2-yl)-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 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 33544-02-4.
What is the molecular formula of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is C11H5F3N2OS.
What is the molecular weight of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 270.01 g/mol.
Where can I buy 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 2-Oxo-6-(thiophen-2-yl)-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 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.