3-bromo-N-methylpyridin-2-amine

• ChemBase ID: 796162
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(c(ccc1)Br)NC
• Canonical SMILES: CNc1ncccc1Br
• InChI: InChI=1S/C6H7BrN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)
• InChIKey: LXCXEEQZSDKPKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-N-methylpyridin-2-amine
• IUPAC Traditional name: 3-bromo-N-methylpyridin-2-amine
• Synonyms: 3-BroMo-N-Methylpyridin-2-aMine

Database IDs

• CAS Number: 214977-38-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4621729
• LogD (pH = 7.4): 1.5896463
• Log P: 1.5915617
• Molar Refractivity: 42.0312 cm^3
• Polarizability: 15.268762 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%