5-fluoro-8-methylquinoline

• ChemBase ID: 254671
• Molecular Formular: C10H8FN
• Molecular Mass: 161.1756232
• Monoisotopic Mass: 161.06407748
• SMILES: c12c(nccc2)c(ccc1F)C
• Canonical SMILES: Fc1ccc(c2c1cccn2)C
• InChI: InChI=1S/C10H8FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h2-6H,1H3
• InChIKey: XEJHEHMTWJYXGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09863332
• PubChem SID: 164310581
• PubChem CID: 12182076

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7694378
• LogD (pH = 7.4): 2.7867975
• Log P: 2.7870238
• Molar Refractivity: 45.2369 cm^3
• Polarizability: 18.369534 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.734

Product Information

• Purity: 95%