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

• ChemBase ID: 101178
• Molecular Formular: C7H9FN2
• Molecular Mass: 140.1581632
• Monoisotopic Mass: 140.07497652
• SMILES: c1(ncccc1F)CNC
• Canonical SMILES: CNCc1ncccc1F
• InChI: InChI=1S/C7H9FN2/c1-9-5-7-6(8)3-2-4-10-7/h2-4,9H,5H2,1H3
• InChIKey: CRJRGUJNAQPYJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluoropyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(3-fluoropyridin-2-yl)methyl](methyl)amine
• Synonyms: 3-fluoro-N-methylpyrid-2-ylmethylamine

Database IDs

• CAS Number: 884507-13-5
• MDL Number: MFCD09025827
• PubChem SID: 162088882
• PubChem CID: 18525718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6667866
• LogD (pH = 7.4): 0.03241923
• Log P: 0.5380961
• Molar Refractivity: 36.8433 cm^3
• Polarizability: 14.299817 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: Tech