2-bromo-N-methylpyridin-3-amine

• ChemBase ID: 808917
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(c(ccc1)NC)Br
• Canonical SMILES: CNc1cccnc1Br
• InChI: InChI=1S/C6H7BrN2/c1-8-5-3-2-4-9-6(5)7/h2-4,8H,1H3
• InChIKey: BMMVVTMAOZMGHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-methylpyridin-3-amine
• IUPAC Traditional name: 2-bromo-N-methylpyridin-3-amine
• Synonyms: 2-BROMO-N-METHYLPYRIDIN-3-AMINE

Database IDs

• CAS Number: 872492-60-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2025108
• LogD (pH = 7.4): 1.2026247
• Log P: 1.2026261
• Molar Refractivity: 42.5599 cm^3
• Polarizability: 15.317213 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%