3-Pyridinecarbonitrile,5-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarbonitrile,5-(trifluoromethyl)-
CAS Number: 951624-83-2
Product Number: AG003M88(AGN-PC-0W4RCN)
Synonyms:
MDL No:
Molecular Formula: C7H3F3N2
Molecular Weight: 172.1073

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
172.11g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
172.025g/mol
Monoisotopic Mass:
172.025g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
202
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

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NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(Trifluoromethyl)nicotinonitrile is a versatile chemical compound widely used in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and advanced materials. Known for its unique trifluoromethyl group, this compound is particularly valued for its ability to introduce fluorine-containing functionalities into organic molecules, enhancing their chemical and biological properties. In organic synthesis, 5-(Trifluoromethyl)nicotinonitrile serves as a valuable intermediate for the efficient construction of complex molecular structures and the modification of existing compounds to improve their stability, reactivity, and selectivity. Its application extends across diverse research fields, including medicinal chemistry, materials science, and agrochemical development, where the incorporation of the trifluoromethyl group is highly sought after for its impact on the physicochemical properties and biological activity of the resulting compounds. By incorporating 5-(Trifluoromethyl)nicotinonitrile into synthetic pathways, chemists can access a wide range of novel compounds with enhanced properties, paving the way for the discovery of new drugs, functional materials, and innovative solutions across various industries.