8-hydroxy-5-nitroquinoline-2-carbaldehyde

• ChemBase ID: 311668
• Molecular Formular: C10H6N2O4
• Molecular Mass: 218.16564
• Monoisotopic Mass: 218.03275668
• SMILES: [N+](=O)(c1c2c(nc(C=O)cc2)c(cc1)O)[O-]
• Canonical SMILES: O=Cc1ccc2c(n1)c(O)ccc2[N+](=O)[O-]
• InChI: InChI=1S/C10H6N2O4/c13-5-6-1-2-7-8(12(15)16)3-4-9(14)10(7)11-6/h1-5,14H
• InChIKey: UPHRIPALSZTGGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-5-nitroquinoline-2-carbaldehyde
• IUPAC Traditional name: 8-hydroxy-5-nitroquinoline-2-carbaldehyde
• Synonyms: 8-hydroxy-5-nitroquinoline-2-carbaldehyde

Database IDs

• CAS Number: 884497-63-6
• MDL Number: MFCD05863703

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0985076
• LogD (pH = 7.4): 1.1143013
• Log P: 2.1543648
• Molar Refractivity: 54.4795 cm^3
• Polarizability: 21.351303 Å^3
• Polar Surface Area: 93.33 Å^2