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

C13H8BrIN2O2SCAS 889939-26-8463.09 g/mol

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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

Hazards

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

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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

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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

2-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine282734-63-862 % similar 4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-D]pyrimidine876343-09-860 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-758 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine348640-07-344 % similar 3-Bromo-1-(phenylsulfonyl)-1H-indole99655-68-239 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-538 % similar 4-Bromoquinoline3964-04-335 % similar 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine886547-94-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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