6-fluoroquinolin-2-amine

• ChemBase ID: 294629
• Molecular Formular: C9H7FN2
• Molecular Mass: 162.1636832
• Monoisotopic Mass: 162.05932645
• SMILES: Nc1nc2ccc(F)cc2cc1
• Canonical SMILES: Fc1ccc2c(c1)ccc(n2)N
• InChI: InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
• InChIKey: DSROYDXRWJWKRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinolin-2-amine
• IUPAC Traditional name: 6-fluoroquinolin-2-amine
• Synonyms: 6-Fluoroquinolin-2-amine

Database IDs

• CAS Number: 791626-57-8
• PubChem SID: 180680160
• PubChem CID: 11400948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8387111
• LogD (pH = 7.4): 2.0359125
• Log P: 2.039134
• Molar Refractivity: 45.2096 cm^3
• Polarizability: 17.722963 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%