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

• ChemBase ID: 804382
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: NCCc1nccc(c1)F
• Canonical SMILES: NCCc1cc(F)ccn1
• InChI: InChI=1S/C7H9FN2/c8-6-2-4-10-7(5-6)1-3-9/h2,4-5H,1,3,9H2
• InChIKey: LDUANTAQOSPAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1000554-27-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6571066
• LogD (pH = 7.4): -1.7628291
• Log P: 0.3425284
• Molar Refractivity: 36.7681 cm^3
• Polarizability: 14.226712 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%