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

• ChemBase ID: 65717
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: c1cc(cnc1[C@@H](N)C)F
• Canonical SMILES: Fc1ccc(nc1)[C@@H](N)C
• InChI: InChI=1S/C7H9FN2/c1-5(9)7-3-2-6(8)4-10-7/h2-5H,9H2,1H3/t5-/m0/s1
• InChIKey: KNKRMCSSVBSDNL-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(5-fluoropyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(5-fluoropyridin-2-yl)ethanamine
• Synonyms: (S)-1-(5-Fluoropyridin-2-yl)ethanamine

Database IDs

• CAS Number: 905587-15-7
• MDL Number: MFCD09824147
• PubChem SID: 162031456
• PubChem CID: 16097531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1497767
• LogD (pH = 7.4): -0.6775948
• Log P: 0.67427987
• Molar Refractivity: 36.5626 cm^3
• Polarizability: 14.299705 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%