2-(5-fluoropyridin-3-yl)ethan-1-amine

• ChemBase ID: 804376
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: NCCc1cncc(c1)F
• Canonical SMILES: NCCc1cncc(c1)F
• InChI: InChI=1S/C7H9FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1-2,9H2
• InChIKey: KYEMPLCYHAFSAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoropyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-fluoropyridin-3-yl)ethanamine
• Synonyms: 2-(5-FLUORO-PYRIDIN-3-YL)-ETHYLAMINE

Database IDs

• CAS Number: 1000537-08-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6892214
• LogD (pH = 7.4): -1.8822696
• Log P: 0.31270498
• Molar Refractivity: 37.3459 cm^3
• Polarizability: 14.228085 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%