3-bromo-6-methylpyridin-2-amine

• ChemBase ID: 71091
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(ccc(n1)C)Br)N
• Canonical SMILES: Cc1ccc(c(n1)N)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: JYWWGZAAXTYNRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-methylpyridin-2-amine
• IUPAC Traditional name: 3-bromo-6-methylpyridin-2-amine
• Synonyms: 2-Amino-3-bromo-6-methylpyridine; 6-Amino-5-bromo-2-picoline; 3-Bromo-6-methylpyridin-2-amine

Database IDs

• CAS Number: 126325-46-0
• MDL Number: MFCD03095215
• PubChem SID: 162036796
• PubChem CID: 2734416

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.85966706
• LogD (pH = 7.4): 1.4065876
• Log P: 1.4212278
• Molar Refractivity: 41.1293 cm^3
• Polarizability: 15.200746 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-79°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%