5-bromo-2-nitropyridine-4-carboxylic acid


Chemical Name: 5-bromo-2-nitropyridine-4-carboxylic acid
CAS Number: 1356412-82-2
Product Number: AG009WJH(AGN-PC-0JF3ZU)
Synonyms:
MDL No:
Molecular Formula: C6H3BrN2O4
Molecular Weight: 247.0030

Identification/Properties


Computed Properties
Molecular Weight:
247.004g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
245.928g/mol
Monoisotopic Mass:
245.928g/mol
Topological Polar Surface Area:
96A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
229
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


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Chemical Structure



5-Bromo-2-nitroisonicotinic acid is a versatile compound widely used in chemical synthesis as a key building block in the production of various pharmaceuticals, agrochemicals, and materials. Its unique structure allows for selective functionalization and modification to tailor its properties for specific applications. In the realm of organic synthesis, this compound serves as a valuable precursor in the preparation of complex molecules with diverse functionalities. Its presence can facilitate the introduction of important functional groups such as amino, nitro, or halogen moieties, enabling the synthesis of biologically active compounds or advanced materials. Additionally, 5-Bromo-2-nitroisonicotinic acid has shown promise in the development of novel drug candidates, as it can be utilized in the construction of pharmacophores and molecular scaffolds that target specific biological pathways or receptors. Its role in chemical synthesis extends beyond organic chemistry, as it also finds application in the preparation of specialty chemicals and advanced materials through various synthetic routes and transformations.