[(5-fluoropyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 815000
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: C(NC)c1cncc(c1)F
• Canonical SMILES: CNCc1cncc(c1)F
• InChI: InChI=1S/C7H9FN2/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3H2,1H3
• InChIKey: QLZVZSJLHZNQMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-fluoropyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-fluoropyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-fluoropyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060802-39-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5867965
• LogD (pH = 7.4): -1.1237109
• Log P: 0.45662415
• Molar Refractivity: 37.3655 cm^3
• Polarizability: 14.299178 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%