2-(4-fluoropyridin-3-yl)ethan-1-amine

• ChemBase ID: 804379
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: NCCc1cnccc1F
• Canonical SMILES: NCCc1cnccc1F
• InChI: InChI=1S/C7H9FN2/c8-7-2-4-10-5-6(7)1-3-9/h2,4-5H,1,3,9H2
• InChIKey: DGYHDFJSIMBKKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoropyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-fluoropyridin-3-yl)ethanamine
• Synonyms: 2-(4-FLUORO-PYRIDIN-3-YL)-ETHYLAMINE

Database IDs

• CAS Number: 1000559-59-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6857517
• LogD (pH = 7.4): -1.8038119
• Log P: 0.31270498
• Molar Refractivity: 37.3459 cm^3
• Polarizability: 14.227547 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%