[(6-fluoropyridin-2-yl)methyl](methyl)amine

• ChemBase ID: 801683
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: N(C)Cc1nc(ccc1)F
• Canonical SMILES: CNCc1cccc(n1)F
• InChI: InChI=1S/C7H9FN2/c1-9-5-6-3-2-4-7(8)10-6/h2-4,9H,5H2,1H3
• InChIKey: VVXUXVDPMPUNCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-fluoropyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(6-fluoropyridin-2-yl)methyl](methyl)amine
• Synonyms: N-[(6-FLUOROPYRIDIN-2-YL)METHYL]-N-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7199702
• LogD (pH = 7.4): 8.272176E-5
• Log P: 0.93202674
• Molar Refractivity: 37.858 cm^3
• Polarizability: 14.299695 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%