5-Nitro-2-oxindole

C8H6N2O3CAS 20870-79-5178.15 g/mol

Open in Covalent MOL file
N+OO−NHO
AmideLactamNitro

Properties

Molecular formula
C8H6N2O3
Molar mass
178.15 g/mol
Exact mass
178.0378 Da
logP
1.09Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20870-79-5
SMILES
C1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O
InChIKey
JQCGHRDKVZPCRO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)

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Names and synonyms

1 names
  • 5-Nitrooxindole

Work with 5-Nitro-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

5,7-Dinitrooxindole30490-21-260 % similar 5-Nitro-2-indanone116530-60-055 % similar 5-Nitroindoline32692-19-654 % similar 5-Chlorooxindole17630-75-053 % similar 5-Bromo-2-oxindole20870-78-453 % similar 5-Aminooxindole20876-36-253 % similar 5-Hydroxyoxindole3416-18-053 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyano-5-nitroanisole101084-96-2 6-Nitro-isoindolin-1-one110568-64-4 4-Isocyanato-1-methyl-2-nitrobenzene13471-69-7 3-Methoxy-2-nitro benzonitrile142596-50-7 5-Aminoisatoic anhydride169037-24-5 7-Nitrooxindole25369-31-7 4-Nitrophenoxyacetonitrile33901-46-1 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-3

Elsewhere

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