1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile

Basic Information

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CAS Number

956010-88-1

Molecular Formula

C7H4N4

Molecular Weight

133.15 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

Basic Physical Properties

Density

1.44±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC2=C(NN=C2N=C1)C#N

InChI

InChI=1S/C7H4N4/c8-4-6-5-2-1-3-9-7(5)11-10-6/h1-3H,(H,9,10,11)

InChIKey

PVFRYQNNVUSEJD-UHFFFAOYSA-N

LogP

1.26632

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

194

Synonyms & References

English

1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile
2H-pyrazolo[3,4-b]pyridine-3-carbonitrile
3-Cyano-7-aza-1H-indazole
PVFRYQNNVUSEJD-UHFFFAOYSA-N
6483AC
PB25505
FCH1144918
AB0080678
ST1171123
AX8222714
C3405
J3.511.235I
AMY3609
A858992
2H-Pyrazolo[3,4-b]pyridine-3-carbonitrile
1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
CS-W007001
SY098453
956010-88-1
AKOS016003666
1H-pyrazolo[3;4-b]pyridine-3-carbonitrile
DS-17337
DTXSID10597971
AC-33928
1H-Pyrazolo[3 pound not4-b]pyridine-3-carbonitrile
SCHEMBL1639226
DB-345761
MFCD13176785

MDL Number

MFCD13176785

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1)?

1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1) is a solid with a crystalline form. It has a molecular weight of approximately 161.14 g/mol. The compound is slightly soluble in water and has good solubility in organic solvents like DMSO and DMF. Chemically, it is relatively stable but can react with strong acids or bases. It has a high melting point and is commonly used in synthesizing other organic compounds.

How is 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1) typically synthesized?

1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile is typically synthesized via a multi-step process involving the reaction of 3-cyano-1H-pyrazolo[3,4-b]pyridine with a suitable reagent such as a carboxylic acid or anhydride. The synthesis often involves the use of a Lewis acid catalyst to promote the condensation reaction. The final product is purified by recrystallization or column chromatography.

What industries use 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1)?

1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the development of drugs and is also utilized in the synthesis of functional polymers for specific applications. Additionally, it may have uses in semiconductor industries for certain electronic applications.

What precautions should be taken when handling 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1)?

When handling 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS: 956010-88-1), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place, away from sources of heat and ignition. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal instructions. Fume hoods should be used during handling to minimize exposure to vapors.