5-Bromo-2-methoxyisonicotinic acid

Basic Information

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CAS Number

886365-22-6

Molecular Formula

C7H6BrNO3

Molecular Weight

232.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC1=NC=C(C(=C1)C(=O)O)Br

InChI

InChI=1S/C7H6BrNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)

InChIKey

JZBHBRMXZANNNF-UHFFFAOYSA-N

LogP

1.5509

Topological Polar Surface Area

59.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

176

Synonyms & References

English

5-Bromo-2-methoxyisonicotinic acid
5-Bromo-2-methoxy-isonicotinic acid
5-bromo-2-methoxypyridine-4-carboxylic acid
5-bromo-2-methoxy-pyridine-4-carboxylic acid
5-Bromo-2-methoxy-4-pyridinecarboxylic acid (ACI)
5-Bromo-2-methoxypyridine-4-carboxylic acid
5-BROMO-2-METHOXYPYRIDINE-4-CARBOXYLIC ACID
AKOS016011201
SY286793
MFCD07375111
886365-22-6
SCHEMBL14916430
BS-18216
DTXSID40723024
5-bromo-2-methoxyisonicotinic acid
5-BROMO-2-METHOXY-ISONICOTINIC ACID
EN300-300287
CS-D0457
DB-368444
5-Bromo-2-methoxyisonicotinicacid
AB41196

MDL Number

MFCD07375111

FAQ

What are the physical and chemical properties of 5-Bromo-2-methoxyisonicotinic acid (CAS: 886365-22-6)?

5-Bromo-2-methoxyisonicotinic acid is a white crystalline solid with a molecular weight of approximately 222.03 g/mol. It has a solubility of about 10.1 mg/mL in water and is less soluble in organic solvents. This compound is moderately reactive, especially under basic conditions, and can undergo nucleophilic substitution reactions.

How is 5-Bromo-2-methoxyisonicotinic acid (CAS: 886365-22-6) typically synthesized?

5-Bromo-2-methoxyisonicotinic acid is typically synthesized through a bromination reaction of 2-methoxyisonicotinic acid using bromine in the presence of an appropriate solvent and catalyst. The yield is usually around 85-90%, and the selectivity for bromination is high.

What industries use 5-Bromo-2-methoxyisonicotinic acid (CAS: 886365-22-6)?

5-Bromo-2-methoxyisonicotinic acid is used in the pharmaceutical industry for the synthesis of certain drug candidates. It also finds applications in the polymer industry for the modification of polymers and in chemical sensors for detecting specific analytes.

What precautions should be taken when handling 5-Bromo-2-methoxyisonicotinic acid (CAS: 886365-22-6)?

When handling 5-Bromo-2-methoxyisonicotinic acid, it is essential to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific disposal procedures.