Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
TL;DR: Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate (CAS 393-81-7) is a chemical compound with molecular formula C13H14F3NO4 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
Also Known As: diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate, 3,5-Diethyl 2-methyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate, 3,5-diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 2-methyl-6-(trifluoromethyl)-, 3,5-diethyl ester
| Molecular Formula | C13H14F3NO4 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 2.76222 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0875 |
| Heavy Atoms | 21 |
| Complexity | 555.08276 |
Chemical Identifiers
| CAS Number | 393-81-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N=C1C)C(F)(F)F)C(=O)OCC |
Product Overview
Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate (CAS 393-81-7), with molecular formula C13H14F3NO4 and molecular weight 305.09 g/mol. IUPAC: diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate.
Chemical Property Profile of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
Property Insights of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
The XLogP value of 2.76222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
The CAS number of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate is 393-81-7.
What is the molecular formula of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
The molecular formula of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate is C13H14F3NO4.
What is the molecular weight of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
The molecular weight of Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate is 305.09 g/mol.
Where can I buy Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
You can request a quote for Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.