chempirical

8-Nitroquinoline

C9H6N2O2CAS 607-35-2174.16 g/mol

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Nitro

Properties

Molecular formula
C9H6N2O2
Molar mass
174.16 g/mol
Exact mass
174.0429 Da
Melting point
91.5 °C
logP
2.14Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
607-35-2
SMILES
O=[N+]([O-])c1cccc2cccnc12
InChIKey
OQHHSGRZCKGLCY-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H

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Names and synonyms

2 names
  • Quinoline, 8-nitro-
  • NSC 346

Work with 8-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

5-Nitro-1,10-phenanthroline4199-88-662 % similar 2-Chloro-3-nitropyridine5470-18-862 % similar 2-Methyl-8-nitroquinoline881-07-258 % similar 3-Nitro-2(1H)-pyridinethione38240-29-857 % similar 2-Amino-3-nitropyridine4214-75-957 % similar 3-Nitro-2(1H)-pyridinone6332-56-557 % similar 7-Nitroindazole2942-42-957 % similar 7-Methyl-8-nitroquinoline7471-63-856 % 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 6-Nitroquinoline613-50-3 7-Nitroquinoline613-51-4 Toluene 2,6-diisocyanate91-08-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook