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

C₆H₃BrIN₃CAS 875781-18-3323.92 g/mol

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Properties

Molecular formula: C₆H₃BrIN₃
Molar mass: 323.92 g/mol
Exact mass: 322.8555 Da
logP: 2.33Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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 5-Bromo-3-iodo (1H)indazole459133-66-553 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-047 % similar 5-Bromo-3-methyl-7-azaindole1111637-94-545 % similar 5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-045 % similar 5-Bromo-2,3-dimethylpyridine27063-90-739 % similar 2,5-Dibromo-3-methylpyridine3430-18-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine875781-44-5

Elsewhere

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