5-bromo-2-methylpyridin-4-amine

• ChemBase ID: 293414
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: Cc1ncc(Br)c(N)c1
• Canonical SMILES: Cc1ncc(c(c1)N)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: JZWNYHXYPFJLFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-methylpyridin-4-amine
• IUPAC Traditional name: 5-bromo-2-methylpyridin-4-amine
• Synonyms: 4-Amino-5-bromo-2-methylpyridine

Database IDs

• CAS Number: 10460-50-1
• PubChem SID: 180678945
• PubChem CID: 13419578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.58377165
• LogD (pH = 7.4): 0.22524032
• Log P: 0.82677025
• Molar Refractivity: 40.8158 cm^3
• Polarizability: 15.1967945 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%