Pyridine, 3-bromo-5-ethynyl-


Chemical Name: Pyridine, 3-bromo-5-ethynyl-
CAS Number: 866683-52-5
Product Number: AG00GXFP(AGN-PC-00P6XQ)
Synonyms:
MDL No:
Molecular Formula: C7H4BrN
Molecular Weight: 182.0174

Identification/Properties


Computed Properties
Molecular Weight:
182.02g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
180.953g/mol
Monoisotopic Mass:
180.953g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
135
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Bromo-5-ethynylpyridine is a versatile compound that finds wide application in chemical synthesis. As a brominated ethynylpyridine derivative, it serves as a valuable building block for the construction of various organic molecules. In organic synthesis, it is commonly used for the preparation of heterocyclic compounds, pharmaceutical intermediates, and functional materials. Its unique structure and reactivity make it a valuable tool for chemists looking to introduce functional groups or modify aromatic systems. Additionally, 3-Bromo-5-ethynylpyridine can participate in cross-coupling reactions, such as Sonogashira coupling, to form carbon-carbon bonds, further expanding its utility in synthetic chemistry.