3-Bromo-1H-pyrazolo[3,4-c]pyridine

Basic Information

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CAS Number

76006-13-8

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

378.6℃ at 760 mmHg

SMILES

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C1=CN=CC2=NNC(=C21)Br

InChI

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

InChIKey

ANQCOJNSEVIFFL-UHFFFAOYSA-N

LogP

1.7203999999999997

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

Synonyms & References

English

A9646
SCHEMBL658647
SY058456
ANQCOJNSEVIFFL-UHFFFAOYSA-N
DS-1666
3-bromo-1h-pyrazolo[3,4-c]-pyridine
P10567
MFCD08234919
PS-4774
FT-0720237
76006-13-8
3-Bromopyrazolo[3,4-c]pyridine
3-bromo-2H-pyrazolo[3,4-c]pyridine
PB14557
3-Bromo-1H-pyrazolo[3,4-c]pyridine, AldrichCPR
AMY7301
AKOS006280758
CS-0006103
J-511803
3-Bromo-1H-pyrazolo[3,4-c]pyridine
DTXSID70506261
3-bromo-1H-pyrazolo[3,4-c]pyridine;3-Bromopyrazolo[3,4-c]pyridine
BCP23457
1H-Pyrazolo[3,4-c]pyridine,3-bromo-
3-Bromo 1H-pyrazolo[3,4-c]pyridine 3-Bromo-6-azaindole
3-bromo-1H-indazole
3-Bromo-6-azaindazole
3-Bromo-6-aza-1H-indazole
FCH836016
RP04144
OR30745

MDL Number

MFCD11226841

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Bromo-1H-pyrazolo[3,4-c]pyridine (CAS: 76006-13-8)?

3-Bromo-1H-pyrazolo[3,4-c]pyridine is a crystalline solid with a molecular weight of approximately 219.02 g/mol. It has a low solubility in water (0.03 g/100 mL at 25°C) but is more soluble in organic solvents like dichloromethane and ethanol. The compound is moderately reactive and can undergo substitution reactions under appropriate conditions.

How is 3-Bromo-1H-pyrazolo[3,4-c]pyridine (CAS: 76006-13-8) typically synthesized?

3-Bromo-1H-pyrazolo[3,4-c]pyridine is typically synthesized via the bromination of 1H-pyrazolo[3,4-c]pyridine using bromine in the presence of a base like sodium hydroxide or potassium hydroxide. The reaction involves electrophilic aromatic substitution, yielding a high yield of the target compound with good selectivity.

What industries use 3-Bromo-1H-pyrazolo[3,4-c]pyridine (CAS: 76006-13-8)?

3-Bromo-1H-pyrazolo[3,4-c]pyridine is primarily used in pharmaceutical research for its potential as an intermediate in the synthesis of drug candidates. It also finds applications in the development of sensors and as a precursor in the synthesis of other heterocyclic compounds.

What precautions should be taken when handling 3-Bromo-1H-pyrazolo[3,4-c]pyridine (CAS: 76006-13-8)?

When handling 3-Bromo-1H-pyrazolo[3,4-c]pyridine, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risk. In case of a spill, immediately clean up using appropriate absorbent materials and follow safety data sheet (SDS) guidelines for disposal.