CAS 1211581-74-6

Methyl 3-bromo-5-nitro-2-pyridinecarboxylate

Description:

Methyl 3-bromo-5-nitro-2-pyridinecarboxylate is a chemical compound characterized by its pyridine ring, which is a six-membered aromatic heterocycle containing one nitrogen atom. This compound features a bromine atom and a nitro group (-NO2) as substituents on the pyridine ring, specifically at the 3 and 5 positions, respectively. The presence of the carboxylate group, indicated by the methyl ester (-COOCH3), contributes to its reactivity and solubility properties. Methyl 3-bromo-5-nitro-2-pyridinecarboxylate is typically a yellow to orange solid or liquid, depending on its purity and specific conditions. It is often used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to undergo various chemical reactions, such as nucleophilic substitutions and coupling reactions. Safety precautions should be observed when handling this compound, as it may pose health risks due to its bromine and nitro functionalities, which can be hazardous.

Formula: C₇H₅BrN₂O₄

InChI: InChI=1S/C7H5BrN2O4/c1-14-7(11)6-5(8)2-4(3-9-6)10(12)13/h2-3H,1H3

InChI key: InChIKey=AHQJDOWWUXMOIR-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(Br)C=C(N(=O)=O)C=N1

Synonyms:

• 2-Pyridinecarboxylic acid, 3-bromo-5-nitro-, methyl ester
• Methyl 3-bromo-5-nitro-2-pyridinecarboxylate