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5-Chloro-2-methyl-2H-indazole

  • CAS No. 541539-86-0

  • Cat. No. CS-0097919
  • Purity≥97%
  • MDL No.None

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

5-Chloro-2-methyl-2H-indazole|CS-0097919

Structure of 541539-86-0

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General Information

  • CAS No. 541539-86-0
  • Cat. No. CS-0097919
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClN₂
  • Molecular Weight 166.61
  • Synonym(s) None
  • SMILES CN1N=C2C=CC(Cl)=CC2=C1

Description

5-Chloro-2-methyl-2H-indazole is a heterocyclic scaffold featuring a chlorine substituent at the 5-position and a methyl group at the 2-position, offering enhanced electron-deficiency and metabolic stability. This configuration enables efficient integration into bioactive molecules for medicinal chemistry applications.

Application

5-Chloro-2-methyl-2H-indazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient derivatization at the 3-position via palladium-catalyzed cross-coupling. Its chloro group provides a reliable handle for nucleophilic substitution, while the methyl substituent enhances metabolic stability and modulates electronic properties. The scaffold exhibits good bench stability and compatibility with common reaction conditions, facilitating rapid access to diverse analogs for structure-activity relationship studies.

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   17.82
  • LogP   2.2267
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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