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CS-W001157 4
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3-(Bromomethyl)picolinonitrile

  • CAS No. 116986-13-1

  • Cat. No. CS-W006515
  • Purity≥95%
  • MDL No.MFCD09030110

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

3-(Bromomethyl)picolinonitrile|CS-W006515

Structure of 116986-13-1

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General Information

  • CAS No. 116986-13-1
  • Cat. No. CS-W006515
  • Purity ≥95%
  • MDL No. MFCD09030110
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂
  • Molecular Weight 197.03
  • Synonym(s) 3-BROMOMETHYL-PYRIDINE-2-CARBONITRILE
  • SMILES N#CC1=NC=CC=C1CBr

Description

3-(Bromomethyl)picolinonitrile features a bromomethyl group attached to the pyridine ring, enabling efficient nucleophilic substitution reactions. The nitrile moiety provides strong electron-withdrawing character, enhancing reactivity at the benzylic position. This compound serves as a key building block for heterocyclic synthesis and functionalized intermediates in medicinal chemistry.

Application

3-(Bromomethyl)picolinonitrile serves as a versatile bifunctional building block for medicinal and synthetic chemistry, enabling efficient construction of heterocyclic scaffolds. The bromomethyl group facilitates nucleophilic substitution reactions, while the picolinonitrile moiety provides a polar, electron-deficient site compatible with transition-metal-catalyzed couplings. Its bench-stable nature and compatibility with diverse functional groups make it ideal for iterative synthesis workflows in API development and library generation.

Synthesis

  • Route1

    References

    • WO2009/155121 A2, ; Page/Page column 126-127 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.84818
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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