chempirical

5-Bromo-2-oxindole

C8H6BrNOCAS 20870-78-4212.05 g/mol

Open in Covalent MOL file
OBrNH
AmideAryl halideLactam

Properties

Molecular formula
C8H6BrNO
Molar mass
212.05 g/mol
Exact mass
210.9633 Da
Melting point
220–221 °C
logP
1.94Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
20870-78-4
SMILES
O=C1Cc2cc(Br)ccc2N1
InChIKey
VIMNAEVMZXIKFL-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

Weigh it out

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

Names and synonyms

8 names
  • 2H-Indol-2-one, 5-bromo-1,3-dihydro-
  • 2-Indolinone, 5-bromo-
  • Oxindole, 5-bromo-
  • 5-Bromo-1,3-dihydro-2H-indol-2-one
  • 5-Bromo-1,3-dihydroindol-2-one
  • 5-Bromooxindole
  • 5-Bromo-2-oxo-2,3-dihydro-1H-indole
  • 5-Bromo-2,3-dihydroindol-2-one

Work with 5-Bromo-2-oxindole

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-Hydroxyoxindole3416-18-065 % similar 5-Chlorooxindole17630-75-060 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-460 % similar 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-355 % similar 5-Carboxyoxindole102359-00-255 % similar 6-Bromo-4-aza-2-oxindole1190319-62-049 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one837392-64-048 % similar 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone54197-66-945 % similar

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

Same formula

3-Bromo-4-methoxybenzonitrile117572-79-9 2-Bromo-5-methoxybenzonitrile138642-47-4 5-Bromo-2-methoxybenzonitrile144649-99-0 4-Bromo-2-methylphenyl isocyanate1591-98-6 3-Bromomethylbenzisoxazole37924-85-9

Elsewhere

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