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

Basic Information

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CAS Number

856859-49-9

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

Boiling Point

209℃ at 760 mmHg

Density

2.00

Flash Point

80 ºC

SMILES

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Brc1ccnc2[nH]ncc12

InChI

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

InChIKey

JVFQAGXECPOKFX-UHFFFAOYSA-N

LogP

1.7203999999999997

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

Synonyms & References

English

4-Bromo-1H-pyrazolo[3,4-b]pyridine
1H-Pyrazolo[3,4-b]pyridine, 4-bromo-
4-BROMO-7-AZA-1H-INDAZOLE
PubChem20574
JVFQAGXECPOKFX-UHFFFAOYSA-N
BCP00123
FCH882407
VP13182
PB14843
CM10543
1H-Pyrazolo[3,4-b]pyridine,4-bromo-
4-bromanyl-1H-pyrazolo[3,4-b]pyridine
BC004570
ST1171139
AX8157605
AB0027037
W8819
4-bromo-1H-pyrazolo[3,4-b]pyridine

MDL Number

MFCD10699404

Customs Code

2933990090

FAQ

What is 4-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9)?

4-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9) is an organic compound with a pyrazole ring fused to a pyridine ring, featuring a bromine substituent. It is a colorless crystalline solid with a melting point of 131-133°C. This compound is used in pharmaceutical research and as an intermediate in organic synthesis.

What are the main uses of 4-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9)?

4-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9) is primarily used as a research chemical in drug discovery and development. It serves as a precursor for synthesizing various bioactive compounds, including potential therapeutic agents.

Is 4-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9) safe?

4-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9) is generally safe when handled with appropriate precautions. However, it is toxic and can cause skin and eye irritation. Users should wear gloves, goggles, and a lab coat. Avoid contact with skin and eyes, and ensure proper ventilation during handling.

How should 4-bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9) be stored?

4-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS: 856859-49-9) should be stored in a cool, dry place away from direct sunlight and heat sources. Keep the container tightly sealed to prevent moisture absorption. Store it in a well-ventilated area and handle with care to avoid inhalation or contact with skin and eyes.