3-Pyridinecarboxylicacid, 5-bromo-2-fluoro-, methyl ester


Chemical Name: 3-Pyridinecarboxylicacid, 5-bromo-2-fluoro-, methyl ester
CAS Number: 931105-37-2
Product Number: AG00GVXV(AGN-PC-0W2OWX)
Synonyms:
MDL No:
Molecular Formula: C7H5BrFNO2
Molecular Weight: 234.0225

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
234.024g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
232.949g/mol
Monoisotopic Mass:
232.949g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
179
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



In chemical synthesis, 3-Pyridinecarboxylic acid, 5-bromo-2-fluoro-, methyl ester is commonly used as a versatile building block for the creation of various organic compounds. Known for its unique structure and reactivity, this compound serves as a key intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. Its ability to undergo various chemical reactions, such as substitution and elimination reactions, makes it a valuable tool for organic chemists seeking to modify and functionalize molecules for specific applications. Additionally, the presence of both bromine and fluorine atoms in its structure offers the potential for further derivatization to introduce additional functionalities or enhance biological activity. Furthermore, the methyl ester group provides a convenient handle for further manipulation, enabling the synthesis of a wide range of complex molecules with tailored properties and functions.