6-fluoroquinolin-4-amine

• ChemBase ID: 31984
• Molecular Formular: C9H7FN2
• Molecular Mass: 162.1636832
• Monoisotopic Mass: 162.05932645
• SMILES: c12c(nccc1N)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)c(N)ccn2
• InChI: InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
• InChIKey: HDANYIGFTBVIBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinolin-4-amine
• IUPAC Traditional name: 6-fluoroquinolin-4-amine
• Synonyms: 6-Fluoroquinolin-4-amine; 6-Fluoro-quinolin-4-ylamine; 6-fluoro-4-quinolinamine; 4-AMINO-6-FLUOROQUINOLINE

Database IDs

• CAS Number: 791626-57-8; 874800-60-9
• MDL Number: MFCD05664759
• PubChem SID: 160995291
• PubChem CID: 17028180

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.20508917
• LogD (pH = 7.4): 1.1664441
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.721601 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.624

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%