(5,6-difluoropyridin-2-yl)methanamine

• ChemBase ID: 801695
• Molecular Formular: C6H6F2N2
• Molecular Mass: 144.1220464
• Monoisotopic Mass: 144.04990464
• SMILES: NCc1nc(c(cc1)F)F
• Canonical SMILES: NCc1ccc(c(n1)F)F
• InChI: InChI=1S/C6H6F2N2/c7-5-2-1-4(3-9)10-6(5)8/h1-2H,3,9H2
• InChIKey: XBVKVLLJTUYLLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5,6-difluoropyridin-2-yl)methanamine
• IUPAC Traditional name: (5,6-difluoropyridin-2-yl)methanamine
• Synonyms: (5,6-DIFLUOROPYRIDIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0619726
• LogD (pH = 7.4): -0.46593195
• Log P: 0.64214826
• Molar Refractivity: 33.2998 cm^3
• Polarizability: 12.256594 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%