chempirical

6-Nitroquinoline

C9H6N2O2CAS 613-50-3174.16 g/mol

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Nitro

Properties

Molecular formula
C9H6N2O2
Molar mass
174.16 g/mol
Exact mass
174.0429 Da
Melting point
153.5 °C
Boiling point
170 °C
logP
2.14Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
613-50-3
SMILES
O=[N+]([O-])c1ccc2ncccc2c1
InChIKey
SMHPLBXIVNQFBA-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H

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Names and synonyms

2 names
  • Quinoline, 6-nitro-
  • NSC 4141

Work with 6-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitronaphthalene581-89-559 % similar 2-Methyl-6-nitroquinoline613-30-955 % similar 6-Nitrobenzothiazole2942-06-550 % similar 5-Nitrobenzimidazole94-52-050 % similar 1,3-Dinitrobenzene99-65-048 % similar 5-Nitro-1,10-phenanthroline4199-88-648 % similar 5-Amino-6-nitroquinoline35975-00-947 % similar 5-Nitrobenzotriazole2338-12-746 % 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 7-Nitroquinoline613-51-4 Toluene 2,6-diisocyanate91-08-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook