chempirical

4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine

C13H8BrIN2O2SCAS 889939-26-8463.09 g/mol

Open in Covalent MOL file
OSONIBrN
Aryl halide

Properties

Molecular formula
C13H8BrIN2O2S
Molar mass
463.09 g/mol
Exact mass
461.8535 Da
logP
3.64Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
889939-26-8
SMILES
O=S(=O)(c1ccccc1)n1c(I)cc2c(Br)ccnc21
InChIKey
JVCKOYFZXMUSEY-UHFFFAOYSA-N
InChI
InChI=1S/C13H8BrIN2O2S/c14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-2-iodo-1-(phenylsulfonyl)-
  • 4-Bromo-2-iodo-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine
  • 1-Benzenesulfonyl-4-bromo-2-iodo-7-azaindole
  • 1-(Benzenesulfonyl)-4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine
  • 1-(Benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine

Work with 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-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-Bromo-1-tosyl-1H-pyrrolo[2,3-B]pyridine348640-07-344 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-538 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-433 % similar

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

Elsewhere

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