8-fluoro-6-methylquinoline

• ChemBase ID: 256090
• Molecular Formular: C10H8FN
• Molecular Mass: 161.1756232
• Monoisotopic Mass: 161.06407748
• SMILES: c1(c2c(cc(c1)C)cccn2)F
• Canonical SMILES: Cc1cc2cccnc2c(c1)F
• InChI: InChI=1S/C10H8FN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,1H3
• InChIKey: ZZYAIEIVYVLSSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-6-methylquinoline
• IUPAC Traditional name: 8-fluoro-6-methylquinoline
• Synonyms: 8-fluoro-6-methylquinoline

Database IDs

• MDL Number: MFCD10686751
• PubChem SID: 164312000
• PubChem CID: 25312981

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7868452
• LogD (pH = 7.4): 2.7870216
• Log P: 2.7870238
• Molar Refractivity: 45.2369 cm^3
• Polarizability: 18.37024 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%