5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine

Basic Information

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CAS Number

887115-56-2

Molecular Formula

C7H6BrN3

Molecular Weight

212.05 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

SMILES

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CN1C2=NC=C(C=C2C=N1)Br

InChI

InChI=1S/C7H6BrN3/c1-11-7-5(3-10-11)2-6(8)4-9-7/h2-4H,1H3

InChIKey

MZTKBGMGLWHOMN-UHFFFAOYSA-N

LogP

1.7307999999999997

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

153

Synonyms & References

English

5-Bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine
1H-PYRAZOLO[3,4-B]PYRIDINE, 5-BROMO-1-METHYL-
5-bromo-1-methylpyrazolo[3,4-b]pyridine
MZTKBGMGLWHOMN-UHFFFAOYSA-N
2022AF
PB24210
ST1171146
5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine
5-Bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine (ACI)
5-Bromo-1-methylpyrazolo[3,4-b]pyridine
DS-14245
Z875036250
CS-W000369
SCHEMBL3303776
EN300-245814
J-516817
887115-56-2
DTXSID70725576
5-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE
AKOS011076885
DB-113621
SY097242
MFCD16112604

MDL Number

MFCD16112604

FAQ

What are the physical and chemical properties of 5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine (CAS: 887115-56-2)?

5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine is a crystalline solid with a molecular weight of approximately 243.01 g/mol. It is poorly soluble in water but soluble in organic solvents like dimethylformamide (DMF) and acetonitrile. Chemically, it is moderately reactive, especially towards nucleophiles. It can undergo substitution reactions and can be used as a functional group in various organic syntheses.

How is 5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine (CAS: 887115-56-2) typically synthesized?

5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine is typically synthesized through the bromination of 1-methyl-1H-pyrazolo[3,4-B]pyridine using N-bromosuccinimide (NBS) or other brominating agents. The reaction is conducted in the presence of a suitable solvent, often chloroform or acetonitrile, and can involve microwave heating to enhance yield and selectivity. The yield is generally high due to the direct substitution of the pyridine ring.

What industries use 5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine (CAS: 887115-56-2)?

5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine is used in the pharmaceutical industry for the development of novel drugs due to its unique chemical structure. It is also applied in the polymer industry for synthesizing functional materials. Additionally, it has potential uses in sensor technology and semiconductor research.

What precautions should be taken when handling 5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine (CAS: 887115-56-2)?

When handling 5-Bromo-1-methyl-1H-pyrazolo[3,4-B]pyridine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a fume hood to minimize exposure. In case of spills, use appropriate spill cleanup materials and follow the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for disposal instructions to ensure safety and environmental compliance.