(3-fluoro-4-methylpyridin-2-yl)methanamine

• ChemBase ID: 799160
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: C(N)c1nccc(c1F)C
• Canonical SMILES: NCc1nccc(c1F)C
• InChI: InChI=1S/C7H9FN2/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,4,9H2,1H3
• InChIKey: OLOMPDJDZSJIRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-4-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (3-fluoro-4-methylpyridin-2-yl)methanamine
• Synonyms: (3-fluoro-4-methylpyridin-2-yl)methanamine

Database IDs

• CAS Number: 756807-57-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8735896
• LogD (pH = 7.4): -0.19032434
• Log P: 0.618937
• Molar Refractivity: 37.1099 cm^3
• Polarizability: 14.225541 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%