(5-fluoro-3-methylpyridin-2-yl)methanamine

• ChemBase ID: 807343
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: C(N)c1ncc(cc1C)F
• Canonical SMILES: NCc1ncc(cc1C)F
• InChI: InChI=1S/C7H9FN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,3,9H2,1H3
• InChIKey: SBZUVOUQFLIBKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-3-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (5-fluoro-3-methylpyridin-2-yl)methanamine
• Synonyms: (5-FLUORO-3-METHYLPYRIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1035757
• LogD (pH = 7.4): -0.5214435
• Log P: 0.618937
• Molar Refractivity: 37.1099 cm^3
• Polarizability: 14.226425 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%