3-bromo-4-methylpyridin-2-amine

• ChemBase ID: 795938
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(c(c(cc1)C)Br)N
• Canonical SMILES: Cc1ccnc(c1Br)N
• InChI: InChI=1S/C6H7BrN2/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: PDFCXUVNUUYYOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-methylpyridin-2-amine
• IUPAC Traditional name: 3-bromo-4-methylpyridin-2-amine
• Synonyms: 3-bromo-4-methylpyridin-2-amine

Database IDs

• CAS Number: 40073-38-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1311167
• LogD (pH = 7.4): 1.7808232
• Log P: 1.8032789
• Molar Refractivity: 41.579 cm^3
• Polarizability: 15.20033 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%