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CS-W001157 4
Total: USD 88.00

5-Bromo-4-methylnicotinonitrile

  • CAS No. 890092-52-1

  • Cat. No. CS-0043021
  • Molecule weight197.03
  • Purity≥98%
  • MDL No.MFCD07439978

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

5-Bromo-4-methylnicotinonitrile|CS-0043021

Structure of 890092-52-1

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General Information

  • CAS No. 890092-52-1
  • Cat. No. CS-0043021
  • Purity ≥98%
  • MDL No. MFCD07439978
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂
  • Molecular Weight 197.03
  • Synonym(s) None
  • SMILES N#CC1=CN=CC(Br)=C1C

Description

5-Bromo-4-methylnicotinonitrile features a strategically positioned bromine atom and nitrile group on a pyridine scaffold, enabling direct functionalization in cross-coupling reactions. The methyl substituent enhances regioselectivity and electronic tuning, while the bench-stable structure supports reliable use in synthetic workflows.

Application

5-Bromo-4-methylnicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo and nitrile functionalities. The methyl group provides a site for oxidation or functionalization, while the nitrile offers polarity and potential for downstream transformation into carboxylic acids or amides. Bench-stable and compatible with standard synthetic workflows, it facilitates efficient construction of heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1
    • In-stock
      3,5-Dibromo-4-methylpyridine|CS-W007912
      3430-23-7
    • null|null
      105-56-6
    • ~46%
    • In-stock
      5-Bromo-4-methylnicotinonitrile|CS-0043021
      890092-52-1

    References

    • Zheng, Shuyan; Yu, Chunhui; Shen, Zhengwu Organic Letters, 2012 , vol. 14, # 14 p. 3644 - 3647

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.0242
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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