3-fluoro-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 813872
• Molecular Formular: C8H9FN2
• Molecular Mass: 152.1688632
• Monoisotopic Mass: 152.07497652
• SMILES: c1(cnc2CCNCc2c1)F
• Canonical SMILES: Fc1cc2CNCCc2nc1
• InChI: InChI=1S/C8H9FN2/c9-7-3-6-4-10-2-1-8(6)11-5-7/h3,5,10H,1-2,4H2
• InChIKey: SIPRQIJRIWNBEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 3-fluoro-5,6,7,8-tetrahydro-1,6-naphthyridine
• Synonyms: 3-fluoro-5,6,7,8-tetrahydro-1,6-naphthyridine

Database IDs

• CAS Number: 1196151-63-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3286936
• LogD (pH = 7.4): -0.68115324
• Log P: 0.5263361
• Molar Refractivity: 40.0973 cm^3
• Polarizability: 15.340212 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%