8-fluoroquinolin-4-amine

• ChemBase ID: 114695
• Molecular Formular: C9H7FN2
• Molecular Mass: 162.1636832
• Monoisotopic Mass: 162.05932645
• SMILES: c12c(nccc1N)c(F)ccc2
• Canonical SMILES: Nc1ccnc2c1cccc2F
• InChI: InChI=1S/C9H7FN2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H,(H2,11,12)
• InChIKey: PFULPFXDXVNQCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoroquinolin-4-amine
• IUPAC Traditional name: 8-fluoroquinolin-4-amine
• Synonyms: 8-fluoroquinolin-4-amine; 8-fluoro-4-quinolinamine; 4-AMINO-8-FLUOROQUINOLINE

Database IDs

• CAS Number: 148401-38-1
• MDL Number: MFCD04037191
• PubChem SID: 162099750
• PubChem CID: 15790504

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0968937
• LogD (pH = 7.4): 1.4376123
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.727894 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.585

Product Information

• Purity: 95+%; 98%