5-(4-chlorophenyl)pyridine-3-carboxylic acid


Chemical Name: 5-(4-chlorophenyl)pyridine-3-carboxylic acid
CAS Number: 187999-33-3
Product Number: AG002GMG(AGN-PC-02MG3D)
Synonyms:
MDL No: MFCD06410266
Molecular Formula: C12H8ClNO2
Molecular Weight: 233.6504

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
233.651g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
233.024g/mol
Monoisotopic Mass:
233.024g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
251
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



5-(4-Chlorophenyl)nicotinic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role as a key building block in the production of various pharmaceuticals, agrochemicals, and functional materials. With its unique structure and reactivity, 5-(4-Chlorophenyl)nicotinic acid is often employed as a precursor in the synthesis of complex organic molecules.In organic synthesis, this compound serves as a valuable starting material for the creation of heterocyclic compounds, which are essential components in drug discovery and development. By reacting 5-(4-Chlorophenyl)nicotinic acid with different reagents and catalysts, chemists can access a wide range of derivatives with diverse chemical properties and functionalities. These derivatives have the potential to exhibit enhanced biological activities or tailored physical characteristics, making them valuable tools in the design of novel compounds with specific applications.Furthermore, the presence of the 4-chlorophenyl group on the nicotinic acid scaffold confers additional reactivity and selectivity in synthetic transformations. This substituent can participate in various chemical reactions, such as halogenation, arylation, and coupling reactions, leading to the generation of structurally complex molecules with precise control over regioselectivity and stereochemistry. By strategically incorporating the 4-chlorophenyl moiety into the molecular structure, chemists can fine-tune the properties of the final products for targeted applications in medicinal chemistry, material science, and other fields.In summary, 5-(4-Chlorophenyl)nicotinic acid is a valuable intermediate in chemical synthesis, offering versatile pathways for the construction of diverse organic compounds with tailored functionalities and applications. Whether used in drug development, agrochemical research, or materials science, this compound plays a vital role in driving innovation and discovery in the field of organic chemistry.