chempirical

7-Nitroquinoline

C9H6N2O2CAS 613-51-4174.16 g/mol

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Nitro

Properties

Molecular formula
C9H6N2O2
Molar mass
174.16 g/mol
Exact mass
174.0429 Da
Melting point
132.5 °C
logP
2.14Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
613-51-4
SMILES
O=[N+]([O-])c1ccc2cccnc2c1
InChIKey
MXKZSCXYMSXOAO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h1-6H

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Names and synonyms

3 names
  • Quinoline, 7-nitro-
  • NSC 137449
  • 7-(Hydroxyl[oxido]amino)quinoline

Work with 7-Nitroquinoline

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

2-Nitronaphthalene581-89-559 % similar 6-Nitroindazole7597-18-454 % similar 1,3-Dinitrobenzene99-65-048 % similar 5-Nitro-1,10-phenanthroline4199-88-648 % similar 2-Methyl-6-nitroquinoline613-30-948 % similar 7-Methyl-8-nitroquinoline7471-63-847 % similar 6-Nitrobenzothiazole2942-06-546 % similar 5-Nitrobenzimidazole94-52-046 % similar

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

Same formula

5-Nitroso-8-hydroxyquinoline3565-26-2 4-Nitroisoquinoline36073-93-5 Toluene diisocyanate584-84-9 5-Nitroisoquinoline607-32-9 5-Nitroquinoline607-34-1 8-Nitroquinoline607-35-2 6-Nitroquinoline613-50-3 Toluene 2,6-diisocyanate91-08-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook