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

• ChemBase ID: 806686
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: C(Cc1ncccc1F)N
• Canonical SMILES: NCCc1ncccc1F
• InChI: InChI=1S/C7H9FN2/c8-6-2-1-5-10-7(6)3-4-9/h1-2,5H,3-4,9H2
• InChIKey: PDNIHEMIUHJPQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoropyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-fluoropyridin-2-yl)ethanamine
• Synonyms: 2-(3-FLUOROPYRIDIN-2-YL)ETHANAMINE

Database IDs

• CAS Number: 149488-79-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6431527
• LogD (pH = 7.4): -1.6858131
• Log P: 0.3425284
• Molar Refractivity: 36.7681 cm^3
• Polarizability: 14.22966 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%