6-bromo-3-methylpyridin-2-amine

• ChemBase ID: 801238
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(c(ccc1Br)C)N
• Canonical SMILES: Brc1ccc(c(n1)N)C
• InChI: InChI=1S/C6H7BrN2/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: ANDWKDRELVPNDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-methylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-3-methylpyridin-2-amine
• Synonyms: 2-AMINO-6-BROMO-3-METHYLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0022705
• LogD (pH = 7.4): 2.0087183
• Log P: 2.008801
• Molar Refractivity: 42.4212 cm^3
• Polarizability: 15.2442875 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%