6-bromo-N-methylpyridin-3-amine

• ChemBase ID: 284032
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(Br)ccc(c1)NC
• Canonical SMILES: CNc1ccc(nc1)Br
• InChI: InChI=1S/C6H7BrN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3
• InChIKey: OAXOGPDQYIWCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-methylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-N-methylpyridin-3-amine
• Synonyms: 6-bromo-N-methylpyridin-3-amine

Database IDs

• MDL Number: MFCD00234191
• PubChem SID: 180669563
• PubChem CID: 817178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2024721
• LogD (pH = 7.4): 1.2026242
• Log P: 1.2026261
• Molar Refractivity: 42.5599 cm^3
• Polarizability: 15.312502 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 2.11

Product Information

• Purity: 95%