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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

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

Brc1ccc2c(n1)[nH]nc2 Request for Quotation
Chemical Name: 6-bromo-1H-pyrazolo[3,4-b]pyridine
CAS Number: 934560-92-6
Product Number: AG0062M8(AGN-PC-0J0Y6G)
Synonyms:
MDL No:
Molecular Formula: C6H4BrN3
Molecular Weight: 198.0201

Identification/Properties

Properties
BP:
399.1±42.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.023g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
196.959g/mol
Monoisotopic Mass:
196.959g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
130
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-Bromo-1H-pyrazolo[3,4-b]pyridine is a valuable intermediate in chemical synthesis, particularly in the field of pharmaceuticals and agrochemicals. This versatile compound is commonly used as a building block in the construction of various heterocyclic compounds due to its unique structure and reactivity. Specifically, it can participate in reactions such as Suzuki coupling, Sonogashira coupling, and Heck reactions to form more complex molecules.In pharmaceutical research, 6-Bromo-1H-pyrazolo[3,4-b]pyridine has been employed in the synthesis of potential drug candidates targeting various diseases. Its ability to undergo diverse transformations allows for the introduction of different functional groups, ultimately leading to the development of novel compounds with desired pharmacological properties. Additionally, this compound has found applications in designing biologically active molecules and probing structure-activity relationships in drug discovery efforts.In agrochemical synthesis, 6-Bromo-1H-pyrazolo[3,4-b]pyridine serves as a key intermediate for the preparation of pesticides, herbicides, and fungicides. By incorporating this compound into the molecular framework of agricultural chemicals, researchers can tailor their properties for enhanced effectiveness and environmental safety. Its compatibility with various synthetic methodologies makes it a valuable tool for generating new agrochemical products with improved performance characteristics.