5-bromo-1H-pyrazolo[3,4-b]pyridine

Basic Information

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CAS Number

875781-17-2

Molecular Formula

C6H4BrN3

Molecular Weight

198.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

199.0 to 203.0 deg-C

Flash Point

152.8℃

SMILES

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Brc1cnc2[nH]ncc2c1

InChI

InChI=1S/C6H4BrN3/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,(H,8,9,10)

InChIKey

BASYLPMLKGQZOG-UHFFFAOYSA-N

LogP

1.7203999999999995

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Bromo-1H-pyrazolo[3,4-b]pyridine
5-Bromopyrazolo[3,4-b]pyridine
5-Bromo-1H-pyrazo[3,4-B]pyridine
5-Bromo-1H-pyrazolo[3,4-b]pyridine (ACI)
5-Bromo-3H-pyrazolo[3,4-b]pyridine

MDL Number

MFCD05663982

Customs Code

2933990090

FAQ

What is 5-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 875781-17-2)?

5-Bromo-1H-pyrazolo[3,4-b]pyridine is a heterocyclic compound with the chemical formula C5H4BrN3. It contains a pyrazole ring fused to a pyridine ring, with a bromine atom substituent at the 5-position. This compound is known for its aromatic nature and potential applications in medicinal chemistry due to its structural versatility and reactivity.

What are the main uses of 5-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 875781-17-2)?

5-Bromo-1H-pyrazolo[3,4-b]pyridine is primarily used in pharmaceutical research as a building block for the synthesis of various drugs. Its unique structure makes it valuable in the development of compounds targeting neurological disorders and cancer. It is also utilized in chemical research for its reactivity in organic transformations and potential as a ligand in coordination chemistry.

Is 5-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 875781-17-2) safe?

5-Bromo-1H-pyrazolo[3,4-b]pyridine should be handled with care due to its potential toxicity. It is advisable to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Safety data sheets (SDS) should be consulted for specific handling and disposal guidelines to ensure compliance with chemical safety standards and minimize health risks.

How should 5-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 875781-17-2) be stored?

5-Bromo-1H-pyrazolo[3,4-b]pyridine should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container made of inert material such as glass or Teflon to prevent degradation. Storage at temperatures below 25°C and in low humidity conditions is recommended to maintain stability and prolong shelf life.