4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine

C14H11BrN2O2SCAS 348640-07-3351.22 g/mol

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SOONBrN
Aryl halide

Properties

Molecular formula
C14H11BrN2O2S
Molar mass
351.22 g/mol
Exact mass
349.9725 Da
logP
3.34Crippen 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
348640-07-3
SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(Br)ccnc32)cc1
InChIKey
JNQDFMCSRQUCQM-UHFFFAOYSA-N
InChI
InChI=1S/C14H11BrN2O2S/c1-10-2-4-11(5-3-10)20(18,19)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3

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Names and synonyms

3 names
  • 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-1-[(4-methylphenyl)sulfonyl]-
  • 4-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
  • 4-Bromo-1-((4-methylphenyl)sulfonyl)pyrrolo[2,3-b]pyridine

Work with 4-Bromo-1-tosyl-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-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-774 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-159 % similar N-Tosyl-5-bromo-4,7-diazaindole1201186-54-055 % similar 2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-D]pyrimidine934524-10-453 % similar N-Tosyl-4-chloro-3-iodo-7-azaindole869335-20-646 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-844 % similar 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine889939-26-844 % similar 1-Tosylpyrrole17639-64-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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