[(6-bromopyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 814860
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(NC)c1cnc(cc1)Br
• Canonical SMILES: CNCc1ccc(nc1)Br
• InChI: InChI=1S/C7H9BrN2/c1-9-4-6-2-3-7(8)10-5-6/h2-3,5,9H,4H2,1H3
• InChIKey: DWEOHDUCDDTHLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-bromopyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(6-bromopyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(6-bromopyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 120740-04-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8101323
• LogD (pH = 7.4): -0.4539769
• Log P: 1.2881968
• Molar Refractivity: 45.6141 cm^3
• Polarizability: 17.470606 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%