6-fluoro-8-methylquinoline

• ChemBase ID: 291474
• Molecular Formular: C10H8FN
• Molecular Mass: 161.1756232
• Monoisotopic Mass: 161.06407748
• SMILES: Cc1c2ncccc2cc(F)c1
• Canonical SMILES: Fc1cc2cccnc2c(c1)C
• InChI: InChI=1S/C10H8FN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h2-6H,1H3
• InChIKey: MKRNDEDVTKRERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1150271-14-9
• MDL Number: MFCD12026038
• PubChem SID: 180677005
• PubChem CID: 46739421

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7802758
• LogD (pH = 7.4): 2.7869382
• Log P: 2.7870238
• Molar Refractivity: 45.2369 cm^3
• Polarizability: 18.365597 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%