CAS 1227514-19-3

3-Bromo-5-methoxy-4-pyridineacetonitrile

Description:

3-Bromo-5-methoxy-4-pyridineacetonitrile is a chemical compound characterized by its pyridine ring, which is a six-membered aromatic heterocycle containing one nitrogen atom. The presence of a bromine atom at the 3-position and a methoxy group at the 5-position contributes to its unique reactivity and properties. The acetonitrile functional group, attached to the 4-position of the pyridine ring, enhances its polarity and solubility in polar solvents. This compound is typically used in organic synthesis and medicinal chemistry, often serving as an intermediate in the preparation of various pharmaceuticals and agrochemicals. Its structure suggests potential applications in the development of biologically active molecules, given the influence of halogen and methoxy substituents on biological activity. Additionally, the compound's properties, such as melting point, boiling point, and spectral characteristics, would be essential for its identification and characterization in laboratory settings. Safety data should be consulted to handle this compound appropriately, as it may pose health risks typical of halogenated organic compounds.

Formula: C₈H₇BrN₂O

InChI: InChI=1S/C8H7BrN2O/c1-12-8-5-11-4-7(9)6(8)2-3-10/h4-5H,2H2,1H3

InChI key: InChIKey=WTHPCFLSLGZYRD-UHFFFAOYSA-N

SMILES: C(C#N)C=1C(OC)=CN=CC1Br

Synonyms:

• 3-Bromo-5-methoxy-4-pyridineacetonitrile
• 4-Pyridineacetonitrile, 3-bromo-5-methoxy-