2-(5-fluoropyridin-2-yl)ethan-1-amine

• ChemBase ID: 806687
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: NCCc1ncc(cc1)F
• Canonical SMILES: NCCc1ccc(cn1)F
• InChI: InChI=1S/C7H9FN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3-4,9H2
• InChIKey: GETNTXOORZGBIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoropyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-fluoropyridin-2-yl)ethanamine
• Synonyms: 2-(5-FLUORO-PYRIDIN-2-YL)-ETHYLAMINE

Database IDs

• CAS Number: 910386-61-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.655579
• LogD (pH = 7.4): -1.807797
• Log P: 0.3425284
• Molar Refractivity: 36.7681 cm^3
• Polarizability: 14.228382 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%