7-fluoro-2-methylquinolin-4-ol

• ChemBase ID: 293564
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: Oc1cc(C)nc2cc(F)ccc12
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2O)C
• InChI: InChI=1S/C10H8FNO/c1-6-4-10(13)8-3-2-7(11)5-9(8)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: DGZLIRLGDGAYDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2-methylquinolin-4-ol
• IUPAC Traditional name: 7-fluoro-2-methylquinolin-4-ol
• Synonyms: 7-Fluoro-2-methylquinolin-4-ol; 7-FLUORO-2-METHYL-QUINOLIN-4-OL

Database IDs

• CAS Number: 18529-03-8
• PubChem SID: 180679095
• PubChem CID: 9547781

CALCULATED PROPERTIES

• Acid pKa: 10.767036
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1007879
• LogD (pH = 7.4): 2.1012158
• Log P: 2.1014073
• Molar Refractivity: 46.7681 cm^3
• Polarizability: 18.95352 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%