3-Pyridinecarboxylic acid, 4-methyl-, hydrochloride


Chemical Name: 3-Pyridinecarboxylic acid, 4-methyl-, hydrochloride
CAS Number: 94015-05-1
Product Number: AG00GS7Z(AGN-PC-0KL8AF)
Synonyms:
MDL No:
Molecular Formula: C7H8ClNO2
Molecular Weight: 173.5969

Identification/Properties


Computed Properties
Molecular Weight:
173.596g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
173.024g/mol
Monoisotopic Mass:
173.024g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
11
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-Methylnicotinic acid hydrochloride, also known as 4-MNA HCl, is a key compound used in chemical synthesis for a variety of applications. This compound is commonly employed as a precursor in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and properties make it a versatile building block in organic chemistry reactions.One of the primary uses of 4-Methylnicotinic acid hydrochloride in chemical synthesis is in the preparation of heterocyclic compounds. By introducing this compound into reactions involving various reagents and catalysts, chemists can access a wide range of heterocycles with diverse functionalities. These heterocycles serve as the core structures in many biologically active compounds and drug candidates.Another important application of 4-MNA HCl is as a starting material for the synthesis of nicotinic acid derivatives. By modifying the methyl group or other functional groups on the 4-Methylnicotinic acid hydrochloride molecule, chemists can fine-tune the properties and biological activities of the resulting compounds. This versatility makes 4-MNA HCl a valuable tool in medicinal chemistry research and drug development.In addition to its role in heterocyclic synthesis and nicotinic acid derivative formation, 4-Methylnicotinic acid hydrochloride is also used in the preparation of advanced materials and specialty chemicals. Its compatibility with a wide range of synthetic methodologies and its ability to undergo diverse chemical transformations make it a sought-after compound in the field of organic synthesis.Overall, 4-Methylnicotinic acid hydrochloride plays a crucial role in chemical synthesis by serving as a key intermediate for the construction of complex molecules with important applications in pharmaceuticals, agrochemicals, and materials science. Its versatility, reactivity, and utility make it a valuable component in the toolbox of synthetic chemists seeking to access novel compounds and functional materials.