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

• ChemBase ID: 815127
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(NC)c1cnccc1Br
• Canonical SMILES: CNCc1cnccc1Br
• InChI: InChI=1S/C7H9BrN2/c1-9-4-6-5-10-3-2-7(6)8/h2-3,5,9H,4H2,1H3
• InChIKey: QNPAQPZFPICIOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromopyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-bromopyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(4-bromopyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060808-82-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6181743
• LogD (pH = 7.4): 0.09135127
• Log P: 1.0826749
• Molar Refractivity: 44.7719 cm^3
• Polarizability: 17.417643 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%