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

C₆H₄BrN₃CAS 68618-36-0198.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄BrN₃
Molar mass: 198.02 g/mol
Exact mass: 196.9589 Da
logP: 1.72Crippen estimate
Polar surface area: 41.6 Å²
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

68618-36-0

SMILES

C1=CC2=C(NN=C2N=C1)Br

InChIKey

ZGHQNXGPKYUHJW-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1H-Pyrazolo[3,4-B]pyridine, 3-bromo-

Work with 3-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

1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-956 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-056 % similar 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-556 % similar 3-Bromo-1H-pyrazolo[3,4-D]pyrimidine1251033-27-852 % similar 3-Bromo-1H-pyrazolo(4,3-b)pyridine633328-33-352 % similar 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-447 % similar 1H-1,2,3-Triazolo(4,5-b)pyridine273-34-739 % similar 3-Bromo-7-azaindole74420-15-839 % 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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