Ethyl 6-chloro-2-(trifluoromethyl)nicotinate

Name: Ethyl 6-chloro-2-(trifluoromethyl)nicotinate
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CAS No. 261635-82-9
Cat. No. CS-0439140
Molecule weight253.61
Purity≥98%
MDL No.None

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Ethyl 6-chloro-2-(trifluoromethyl)nicotinate|CS-0439140

Structure of 261635-82-9

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General Information

CAS No. 261635-82-9
Cat. No. CS-0439140
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇ClF₃NO₂
Molecular Weight 253.61
Synonym(s) ETHYL-6-CHLORO-2-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLATE
SMILES O=C(C1=CC=C(Cl)N=C1C(F)(F)F)OCC

Description

Ethyl 6-chloro-2-(trifluoromethyl)nicotinate features a trifluoromethyl group at the 2-position and a chlorine atom at the 6-position, conferring enhanced electron-withdrawing character and metabolic stability. This bench-stable ester integrates readily into synthetic routes for bioactive heterocycles, particularly in medicinal chemistry applications requiring halogenated pyridine scaffolds.

Application

Ethyl 6-chloro-2-(trifluoromethyl)nicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloro substituent facilitates palladium-catalyzed cross-coupling reactions. Its ester functionality supports selective transformations and downstream derivatization, making it well-suited for API development and high-throughput synthesis workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 39.19
LogP 2.9305
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Ethyl 6-chloro-2-(trifluoromethyl)nicotinate

CAS No. 261635-82-9

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