chempirical

4-Bromo-1H-pyrazolo(3,4-b)pyridine

C6H4BrN3CAS 856859-49-9198.02 g/mol

Open in Covalent MOL file
NBrNNH
Aryl halide

Properties

Molecular formula
C6H4BrN3
Molar mass
198.02 g/mol
Exact mass
196.9589 Da
logP
1.72Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
856859-49-9
SMILES
C1=CN=C2C(=C1Br)C=NN2
InChIKey
JVFQAGXECPOKFX-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)

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Names and synonyms

1 names
  • 4-Bromo-1H-pyrazolo[3,4-B]pyridine

Work with 4-Bromo-1H-pyrazolo(3,4-b)pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-056 % similar 4-Iodo-7-aza-1H-indazole861881-02-956 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-253 % similar 4-Bromo (1H)indazole186407-74-950 % similar 4,7-Dibromo-1,10-phenanthroline156492-30-747 % similar 3,4-Dibromo-7-azaindole1000340-33-944 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-842 % similar 4-Bromoquinoline3964-04-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 6-Bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-2 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-8

Elsewhere

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