2-bromo-5-methylpyridin-4-amine

• ChemBase ID: 65724
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(ncc(c(c1)N)C)Br
• Canonical SMILES: Brc1ncc(c(c1)N)C
• InChI: InChI=1S/C6H7BrN2/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: NZTRUPUDUVCDTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 79055-60-0
• MDL Number: MFCD11100653
• PubChem SID: 162031463
• PubChem CID: 12643709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97980225
• LogD (pH = 7.4): 1.4044876
• Log P: 1.4143435
• Molar Refractivity: 42.1077 cm^3
• Polarizability: 15.240534 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%