[(5-bromopyridin-3-yl)methyl]dimethylamine

• ChemBase ID: 796536
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: C(N(C)C)c1cncc(c1)Br
• Canonical SMILES: CN(Cc1cncc(c1)Br)C
• InChI: InChI=1S/C8H11BrN2/c1-11(2)6-7-3-8(9)5-10-4-7/h3-5H,6H2,1-2H3
• InChIKey: KYVVKZWZFMYZEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromopyridin-3-yl)methyl]dimethylamine
• IUPAC Traditional name: [(5-bromopyridin-3-yl)methyl]dimethylamine
• Synonyms: 1-(5-BroMopyridin-3-yl)-N,N-diMethylMethanaMine

Database IDs

• CAS Number: 908864-98-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0610006
• LogD (pH = 7.4): 0.70884943
• Log P: 1.4657228
• Molar Refractivity: 50.0666 cm^3
• Polarizability: 19.238626 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%