chempirical

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

C6H3BrIN3CAS 875781-18-3323.92 g/mol

Open in Covalent MOL file
BrNNNHI
Aryl halide

Properties

Molecular formula
C6H3BrIN3
Molar mass
323.92 g/mol
Exact mass
322.8555 Da
logP
2.33Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
875781-18-3
SMILES
Brc1cnc2n[nH]c(I)c2c1
InChIKey
ZBPXFBHBTCYAQS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrIN3/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H,9,10,11)

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Names and synonyms

1 names
  • 1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-iodo-

Work with 5-Bromo-3-iodo-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

5-Bromo-3-methyl-1H-pyrazolo[3,4-B]pyridine885223-65-465 % similar 5-Bromo-1H-pyrazolo[3,4-B]pyridin-3-amine405224-24-060 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-047 % similar 5-Bromo-3-methyl-7-azaindole1111637-94-545 % similar 2,5-Dibromo-3-methylpyridine3430-18-039 % similar 6-Bromo-3-iodo-1H-indazole885521-88-038 % similar 6-Bromo-1H-pyrazolo[4,3-B]pyridine1150617-54-137 % similar 5-Bromo-3-methyl-2(1H)-pyridinone89488-30-237 % similar

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

Elsewhere

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