5-fluoroquinolin-8-amine

• ChemBase ID: 288337
• Molecular Formular: C9H7FN2
• Molecular Mass: 162.1636832
• Monoisotopic Mass: 162.05932645
• SMILES: Nc1ccc(F)c2c1nccc2
• Canonical SMILES: Fc1ccc(c2c1cccn2)N
• InChI: InChI=1S/C9H7FN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
• InChIKey: QDWQDAXFVALXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoroquinolin-8-amine
• IUPAC Traditional name: 5-fluoroquinolin-8-amine
• Synonyms: 5-Fluoroquinolin-8-amine

Database IDs

• CAS Number: 161038-18-2
• MDL Number: MFCD09263638
• PubChem SID: 180673868
• PubChem CID: 44558264

CALCULATED PROPERTIES

• Acid pKa: 19.81968
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4387043
• LogD (pH = 7.4): 1.4446007
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.733595 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%