5-(3-carboxyphenyl)pyridine-3-carboxylic acid


Chemical Name: 5-(3-carboxyphenyl)pyridine-3-carboxylic acid
CAS Number: 1261976-89-9
Product Number: AG000S9R(AGN-PC-09Q3ND)
Synonyms:
MDL No:
Molecular Formula: C13H9NO4
Molecular Weight: 243.2149

Identification/Properties


Computed Properties
Molecular Weight:
243.218g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
243.053g/mol
Monoisotopic Mass:
243.053g/mol
Topological Polar Surface Area:
87.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
331
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-(3-Carboxyphenyl)nicotinic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis. Its unique structural properties make it a valuable building block in the creation of various organic molecules. Specifically, $name$ is commonly employed as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its carboxyl and pyridine groups allow for efficient functionalization and derivatization, enabling chemists to tailor its molecular structure for specific applications. In organic synthesis, $name$ serves as a crucial component in the development of novel compounds with diverse biological activities and potential therapeutic properties. Its role as a intermediate in the construction of complex molecules highlights its significance in advancing scientific research and innovation in the field of chemistry.