3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, methyl ester
CAS Number: 190271-88-6
Product Number: AG002EGH(AGN-PC-0229FQ)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN2O4
Molecular Weight: 216.5786

Identification/Properties


Computed Properties
Molecular Weight:
216.577g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
215.994g/mol
Monoisotopic Mass:
215.994g/mol
Topological Polar Surface Area:
85A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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



Methyl 2-chloro-5-nitronicotinate is a versatile compound widely used in chemical synthesis. Its primary application lies in its role as a key intermediate in the production of various pharmaceuticals, agrochemicals, and organic compounds. Through well-established synthetic routes, this compound serves as a vital building block for the creation of complex molecules with diverse functionalities and applications. Specifically, Methyl 2-chloro-5-nitronicotinate plays a crucial role in the development of novel drugs, herbicides, and specialty chemicals due to its unique structural properties and reactivity. Additionally, its compatibility with a wide range of other reagents and solvents further enhances its utility in the synthesis of value-added products. As a result, Methyl 2-chloro-5-nitronicotinate is an indispensable component in the toolbox of synthetic chemists working towards the creation of innovative and impactful chemical compounds.