![Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate structure](/static/products/1537/153704-26-8.webp)
Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate
TL;DR: Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate (CAS 153704-26-8) is a chemical compound with molecular formula C13H14F3NO4 and molecular weight 305.0875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanedioate
Also Known As: diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate, diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]propanedioate, Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate, 95%, 1,3-diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]propanedioate
Technical Specifications
| Molecular Formula | C13H14F3NO4 |
| Molecular Weight | 305.0875 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.0875 Da |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
| SMILES | CCOC(=O)C(C1=NC=C(C=C1)C(F)(F)F)C(=O)OCC |
| InChIKey | LKTLPLGHHHQXTN-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate
Property Insights of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate. Following Lipinski's Rule of Five, Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate?
The CAS number of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate is 153704-26-8.
What is the molecular formula of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate?
The molecular formula of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate is C13H14F3NO4.
What is the molecular weight of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate?
The molecular weight of Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate is 305.0875 g/mol.
Where can I buy Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate?
You can request a quote for Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-[5-(trifluoromethyl)pyridin-2-yl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.