Pyridine, 3-iodo-2-nitro-


Chemical Name: Pyridine, 3-iodo-2-nitro-
CAS Number: 54231-34-4
Product Number: AG00DBR3(AGN-PC-04367L)
Synonyms:
MDL No:
Molecular Formula: C5H3IN2O2
Molecular Weight: 249.9940

Identification/Properties


Properties
BP:
336.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
249.995g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
249.924g/mol
Monoisotopic Mass:
249.924g/mol
Topological Polar Surface Area:
58.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
136
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-Iodo-2-nitropyridine is a versatile chemical compound commonly used in organic synthesis as a key building block. Due to its unique structure and reactivity, this compound serves various important roles in the creation of pharmaceuticals, agrochemicals, and other fine chemicals.Firstly, 3-Iodo-2-nitropyridine is frequently employed as a precursor in the synthesis of various biologically active molecules. Its halogen and nitro functional groups can be selectively modified to introduce different substituents, allowing for the generation of diverse chemical structures with tailored properties. This compound is often utilized in medicinal chemistry research to create new drug candidates with improved potency, selectivity, and pharmacokinetic properties.Moreover, 3-Iodo-2-nitropyridine plays a crucial role in the preparation of heterocyclic compounds, which are essential components in the development of advanced materials and specialty chemicals. By undergoing various transformations such as halogen-metal exchange, cross-coupling reactions, and reduction processes, this compound can be incorporated into complex molecular frameworks with multiple points of substitution. These modified structures exhibit enhanced functionality and can be used in a wide range of applications, including catalysis, materials science, and chemical biology.Additionally, 3-Iodo-2-nitropyridine is utilized in the synthesis of agrochemicals, specifically in the development of novel pesticides and herbicides. By introducing specific functional groups at the iodine and nitro positions, chemists can create molecules that exhibit potent biological activity against target pests and weeds while minimizing environmental impact. This compound serves as a valuable starting material for the construction of pesticide candidates with improved efficacy, safety, and sustainability.In conclusion, the application of 3-Iodo-2-nitropyridine in chemical synthesis enables chemists to access a diverse array of functionalized molecules with applications in pharmaceuticals, materials science, and agrochemicals. Its versatility and reactivity make it a valuable tool for the design and preparation of complex organic compounds with tailored properties and biological activities.