[(2-bromopyridin-4-yl)methyl](methyl)amine

• ChemBase ID: 814861
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(NC)c1cc(ncc1)Br
• Canonical SMILES: CNCc1ccnc(c1)Br
• InChI: InChI=1S/C7H9BrN2/c1-9-5-6-2-3-10-7(8)4-6/h2-4,9H,5H2,1H3
• InChIKey: KMQWTXXQXBHNJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromopyridin-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(2-bromopyridin-4-yl)methyl](methyl)amine
• Synonyms: 1-(2-bromopyridin-4-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060811-31-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8205467
• LogD (pH = 7.4): -0.49026546
• Log P: 1.2881968
• Molar Refractivity: 45.6141 cm^3
• Polarizability: 17.47039 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%