chempirical

3-Nitro-4-quinolinol

C9H6N2O3CAS 50332-66-6190.16 g/mol

Open in Covalent MOL file
ONHN+OO−
Nitro

Properties

Molecular formula
C9H6N2O3
Molar mass
190.16 g/mol
Exact mass
190.0378 Da
logP
1.44Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
50332-66-6
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
InChIKey
ZWISCKSGNCMAQO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O3/c12-9-6-3-1-2-4-7(6)10-5-8(9)11(13)14/h1-5H,(H,10,12)

Weigh it out

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Work with 3-Nitro-4-quinolinol

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

6-Bromo-3-nitro-4-quinolinol853908-50-663 % similar N-(2-Methylpropyl)-3-nitro-4-quinolinamine99009-85-553 % similar 4-Nitroindole4769-97-551 % similar 1,4-Dinitronaphthalene6921-26-250 % similar 3-Nitro-7-azaindole23709-47-948 % similar 1,5-Dinitronaphthalene605-71-046 % similar 1,2-Dinitrobenzene528-29-045 % similar 1-Nitronaphthalene86-57-745 % similar

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

Same formula

7-Nitro-1H-indole-3-carboxaldehyde10553-14-7 4-Nitrobenzoylacetonitrile3383-43-5 Nitroxoline4008-48-4 4-Nitroquinoline 1-oxide56-57-5 5-Nitro-1H-indole-3-carbaldehyde6625-96-3

Elsewhere

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