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Methyl 2-chloro-3-(trifluoromethyl)isonicotinate

  • CAS No. 1227575-06-5

  • Cat. No. CS-0041632
  • Purity≥98%
  • MDL No.None

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

Methyl 2-chloro-3-(trifluoromethyl)isonicotinate|CS-0041632

Structure of 1227575-06-5

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General Information

  • CAS No. 1227575-06-5
  • Cat. No. CS-0041632
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₃NO₂
  • Molecular Weight 239.58
  • Synonym(s) 2-Chloro-3-trifluoromethyl-isonicotinic acid methyl ester
  • SMILES O=C(OC)C1=CC=NC(Cl)=C1C(F)(F)F

Description

Methyl 2-chloro-3-(trifluoromethyl)isonicotinate features a trifluoromethyl group that enhances electron-withdrawing character, while the chloro substituent provides a reactive handle for nucleophilic substitution. This bench-stable ester integrates readily into heterocyclic synthesis, offering high compatibility in cross-coupling and functionalization workflows under standard conditions.

Application

Methyl 2-chloro-3-(trifluoromethyl)isonicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds. The molecule combines a reactive chloro group at the 2-position with a strongly electron-withdrawing trifluoromethyl substituent at the 3-position, enhancing electrophilicity and facilitating nucleophilic substitution or metal-catalyzed coupling reactions. Its bench-stable nature and straightforward purification make it ideal for multi-step synthesis workflows targeting bioactive heterocycles.

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-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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