2-(5-fluoropyridin-2-yl)acetonitrile


Chemical Name: 2-(5-fluoropyridin-2-yl)acetonitrile
CAS Number: 960371-08-8
Product Number: AG00IJRE(AGN-PC-09RXCI)
Synonyms:
MDL No:
Molecular Formula: C7H5FN2
Molecular Weight: 136.1264

Identification/Properties


Computed Properties
Molecular Weight:
136.129g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
136.044g/mol
Monoisotopic Mass:
136.044g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
149
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:
Danger
UN#:
3276
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(5-Fluoropyridin-2-yl)acetonitrile is a versatile compound commonly used as a building block in organic synthesis. Its unique structure containing a fluorine-substituted pyridine ring connected to an acetonitrile group makes it a valuable intermediate in the preparation of various complex molecules. In chemical synthesis, this compound serves as a key starting material for the synthesis of pharmaceuticals, agrochemicals, and materials with specific properties. Its ability to undergo various functional group transformations allows for the introduction of different chemical functionalities, enabling the creation of diverse molecular structures. This compound plays a crucial role in the development of new materials and biologically active compounds by serving as a fundamental unit in multi-step organic reactions.