8-fluoro-5-nitroquinoline

• ChemBase ID: 253790
• Molecular Formular: C9H5FN2O2
• Molecular Mass: 192.1466032
• Monoisotopic Mass: 192.03350563
• SMILES: [N+](=O)(c1c2c(nccc2)c(cc1)F)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(c2c1cccn2)F
• InChI: InChI=1S/C9H5FN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
• InChIKey: WOSYAMNMWPZLGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-5-nitroquinoline
• IUPAC Traditional name: 8-fluoro-5-nitroquinoline
• Synonyms: 8-fluoro-5-nitroquinoline

Database IDs

• CAS Number: 94832-39-0
• MDL Number: MFCD09048716
• PubChem SID: 164309700
• PubChem CID: 154498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2135863
• LogD (pH = 7.4): 2.2135866
• Log P: 2.2135866
• Molar Refractivity: 47.5204 cm^3
• Polarizability: 18.498487 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.072

Product Information

• Purity: 95%