Chemical Identity
Molecular Formula
C14H15ClF3NO4
Molecular Weight
353.72 g/mol
Exact Mass
353.06417
PubChem CID
2766734
IUPAC Name
diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanedioate
SMILES String
CCOC(=O)C(C)(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl
Names & Synonyms
External Identifiers
Catalog Overview
Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylmalonate is a synthetic organic compound with the molecular formula C14H15ClF3NO4 and a molecular weight of 353. 72 g/mol. Its structure incorporates a pyridine core substituted with both a chlorine atom and a trifluoromethyl group at positions 3 and 5, respectively. This substituted pyridine is further connected to a 2-methylmalonate diethyl ester group.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylmalonate is a synthetic organic compound with the molecular formula C14H15ClF3NO4 and a molecular weight of 353.72 g/mol. Its structure incorporates a pyridine core substituted with both a chlorine atom and a trifluoromethyl group at positions 3 and 5, respectively. This substituted pyridine is further connected to a 2-methylmalonate diethyl ester group. The presence of halogen atoms (chlorine and fluorine in the trifluoromethyl group) and ester functionalities contributes to its physicochemical properties and potential reactivity. Given its "druglike_bioactive_like" classification, it may serve as a valuable building block or lead compound in the synthesis of novel pharmaceutical agents or agrochemicals, particularly in areas exploring pyridine-containing scaffolds.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
Colorless to pale yellow liquid
Physical State
Liquid
Melting Point
12.0 °C
Boiling Point
320.0 °C
Density
1.32 g/cm³
Water Solubility
Insoluble
Flash Point
145.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.