3-Pyridinecarbonitrile, 1,2-dihydro-5-iodo-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-5-iodo-2-oxo-
CAS Number: 766515-33-7
Product Number: AG005AOU(AGN-PC-07CN56)
Synonyms:
MDL No:
Molecular Formula: C6H3IN2O
Molecular Weight: 246.0053

Identification/Properties


Properties
BP:
423.534°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
246.007g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
245.929g/mol
Monoisotopic Mass:
245.929g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
281
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Iodo-2-oxo-1,2-dihydropyridine-3-carbonitrile is a versatile compound that finds extensive utility in chemical synthesis due to its unique reactivity profile. This compound serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and materials. Specifically, it is commonly employed in the synthesis of heterocyclic compounds, which are essential structural motifs in drug discovery and development. Additionally, 5-Iodo-2-oxo-1,2-dihydropyridine-3-carbonitrile can participate in multicomponent reactions to generate complex molecular scaffolds efficiently. Its ability to undergo diverse transformations makes it a valuable tool for organic chemists seeking to access novel chemical entities with diverse functionalities and applications.