6-fluoro-5-nitroquinoline

• ChemBase ID: 245125
• Molecular Formular: C9H5FN2O2
• Molecular Mass: 192.1466032
• Monoisotopic Mass: 192.03350563
• SMILES: c1([N+](=O)[O-])c2c(nccc2)ccc1F
• Canonical SMILES: [O-][N+](=O)c1c(F)ccc2c1cccn2
• InChI: InChI=1S/C9H5FN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
• InChIKey: LXLFTPABKFODKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-5-nitroquinoline
• IUPAC Traditional name: 6-fluoro-5-nitroquinoline
• Synonyms: 6-fluoro-5-nitroquinoline

Database IDs

• MDL Number: MFCD11110425
• PubChem SID: 164301035
• PubChem CID: 154239

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.213562
• LogD (pH = 7.4): 2.2135863
• Log P: 2.2135866
• Molar Refractivity: 47.5204 cm^3
• Polarizability: 18.49293 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 1.772

Product Information

• Purity: 95%