5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

Basic Information

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CAS Number

1190317-45-3

Molecular Formula

C8H4BrN3

Molecular Weight

222.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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c1c[nH]c2c1cc(c(n2)C#N)Br

InChI

InChI=1S/C8H4BrN3/c9-6-3-5-1-2-11-8(5)12-7(6)4-10/h1-3H,(H,11,12)

InChIKey

KSUFULNLPSLSMF-UHFFFAOYSA-N

LogP

2.19708

Complexity

222

Synonyms & References

English

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
5-Bromo-6-cyano-7-azaindole
QC-2898
FCH1378786
PB22659
AB0035080
AX8217070
ST2411752
X9351
1H-PYRROLO[2,3-B]PYRIDINE-6-CARBONITRILE, 5-BROMO-
5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

MDL Number

MFCD12962874

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CAS: 1190317-45-3)?

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is a crystalline solid with a molecular weight of approximately 262.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like DMF, DMSO, and acetonitrile. This compound shows moderate reactivity and is often used in various organic reactions due to its functional groups. It is stable under normal conditions but requires careful handling to avoid prolonged exposure to air and moisture.

How is 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CAS: 1190317-45-3) typically synthesized?

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is typically synthesized via the reaction of 1H-pyrrolo[2,3-b]pyridine-6-carbonitrile with bromine in the presence of a suitable base like KOH. This method provides a high yield and good selectivity. The reaction is carried out in a suitable solvent such as dichloromethane or acetonitrile under mild conditions, ensuring a clean and efficient synthesis process.

What industries use 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CAS: 1190317-45-3)?

5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile finds applications in the pharmaceutical industry for its potential as a drug intermediate, in the electronics industry for its use in organic semiconductors, and in the sensor industry for its reactivity and sensing properties. It is also used in polymer chemistry for modifying and enhancing the properties of various materials.

What precautions should be taken when handling 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CAS: 1190317-45-3)?

When handling 5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate procedures and waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.