2-pyrazol-1-ylpyridine-3-carbonitrile


Chemical Name: 2-pyrazol-1-ylpyridine-3-carbonitrile
CAS Number: 1152822-31-5
Product Number: AG000GJJ(AGN-PC-05CNH3)
Synonyms:
MDL No:
Molecular Formula: C9H6N4
Molecular Weight: 170.1707

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
170.175g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
170.059g/mol
Monoisotopic Mass:
170.059g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(1H-Pyrazol-1-yl)nicotinonitrile is a versatile compound that finds wide application in chemical synthesis. It serves as a key building block in the construction of various heterocyclic compounds, due to its unique structure containing both a pyrazole and a nicotinonitrile moiety. In organic synthesis, 2-(1H-Pyrazol-1-yl)nicotinonitrile is commonly used as a precursor for the synthesis of pharmaceuticals, agrochemicals, and materials. Its ability to undergo various functional group transformations makes it a valuable intermediate in the preparation of diverse chemical structures. Additionally, this compound can participate in cross-coupling reactions, cyclization reactions, and other transformations to generate complex molecules with specific properties and functions. Its presence in the synthetic toolbox of chemists enables the efficient and strategic design of new compounds for a range of applications in the fields of medicinal chemistry, materials science, and beyond.