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

• ChemBase ID: 814999
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: C(NC)c1ncc(cc1)F
• Canonical SMILES: CNCc1ccc(cn1)F
• InChI: InChI=1S/C7H9FN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4,9H,5H2,1H3
• InChIKey: SPNFGZMXFOMLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-fluoropyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-fluoropyridin-2-yl)methyl](methyl)amine
• Synonyms: 1-(5-fluoropyridin-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060802-37-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1166842
• LogD (pH = 7.4): -0.39715362
• Log P: 0.5380961
• Molar Refractivity: 36.8433 cm^3
• Polarizability: 14.300013 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%