6-fluoroquinolin-8-amine

• ChemBase ID: 286970
• Molecular Formular: C9H7FN2
• Molecular Mass: 162.1636832
• Monoisotopic Mass: 162.05932645
• SMILES: Nc1c2ncccc2cc(F)c1
• Canonical SMILES: Fc1cc2cccnc2c(c1)N
• InChI: InChI=1S/C9H7FN2/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H,11H2
• InChIKey: IKGWILBMHTUNJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinolin-8-amine
• IUPAC Traditional name: 6-fluoroquinolin-8-amine
• Synonyms: 6-Fluoroquinolin-8-amine

Database IDs

• CAS Number: 343-54-4
• MDL Number: MFCD08447297
• PubChem SID: 180672501
• PubChem CID: 13227992

CALCULATED PROPERTIES

• Acid pKa: 18.254295
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4426755
• LogD (pH = 7.4): 1.4446512
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.7294 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%