chempirical

7-Nitro-1H-indole-3-carboxaldehyde

C9H6N2O3CAS 10553-14-7190.16 g/mol

Open in Covalent MOL file
ONHN+OO−
AldehydeNitro

Properties

Molecular formula
C9H6N2O3
Molar mass
190.16 g/mol
Exact mass
190.0378 Da
logP
1.89Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
10553-14-7
SMILES
O=Cc1c[nH]c2c([N+](=O)[O-])cccc12
InChIKey
ADGKBVRTGVODMM-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O3/c12-5-6-4-10-9-7(6)2-1-3-8(9)11(13)14/h1-5,10H

Weigh it out

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Names and synonyms

5 names
  • 1H-Indole-3-carboxaldehyde, 7-nitro-
  • Indole-3-carboxaldehyde, 7-nitro-
  • 3-Formyl-7-nitro-1H-indole
  • 7-Nitroindole-3-carboxaldehyde
  • 7-Nitro-1H-indole-3-carbaldehyde

Work with 7-Nitro-1H-indole-3-carboxaldehyde

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-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-861 % similar 2-Nitrobenzaldehyde552-89-655 % similar 7-Methyl-1H-indole-3-carbaldehyde4771-50-054 % similar 7-Ethyl-1H-indole-3-carbaldehyde154989-45-453 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-452 % similar 1,5-Dinitronaphthalene605-71-050 % similar 7-Nitroindole6960-42-548 % similar 2-Bromo-6-nitrobenzaldehyde20357-21-547 % similar

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

Same formula

4-Nitrobenzoylacetonitrile3383-43-5 Nitroxoline4008-48-4 3-Nitro-4-quinolinol50332-66-6 4-Nitroquinoline 1-oxide56-57-5 5-Nitro-1H-indole-3-carbaldehyde6625-96-3

Elsewhere

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