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CS-W001157 4
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Methyl 6-chloro-3-(trifluoromethyl)picolinate

  • CAS No. 1416354-40-9

  • Cat. No. CS-W019124
  • Molecule weight239.58
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 6-chloro-3-(trifluoromethyl)picolinate|CS-W019124

Structure of 1416354-40-9

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General Information

  • CAS No. 1416354-40-9
  • Cat. No. CS-W019124
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₃NO₂
  • Molecular Weight 239.58
  • Synonym(s) 2-Pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-, methyl ester
  • SMILES O=C(OC)C1=NC(Cl)=CC=C1C(F)(F)F

Description

Methyl 6-chloro-3-(trifluoromethyl)picolinate features a trifluoromethyl group that enhances electron deficiency and metabolic stability, while the chloro substituent at C6 enables selective functionalization. This pyridine-based ester integrates readily into synthetic sequences requiring orthogonal reactivity, offering improved solubility and handling under standard conditions.

Application

Methyl 6-chloro-3-(trifluoromethyl)picolinate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the ester functionality allows for selective reduction or hydrolysis. Bench-stable and compatible with diverse reaction conditions, it facilitates efficient access to substituted pyridine scaffolds relevant to agrochemical and pharmaceutical development.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.5404
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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