3,5-dibromo-2-methylpyridine

• ChemBase ID: 88801
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: n1c(c(cc(c1)Br)Br)C
• Canonical SMILES: Brc1cnc(c(c1)Br)C
• InChI: InChI=1S/C6H5Br2N/c1-4-6(8)2-5(7)3-9-4/h2-3H,1H3
• InChIKey: HFMNHHLYRNSTSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-methylpyridine
• IUPAC Traditional name: 3,5-dibromo-2-methylpyridine
• Synonyms: 3,5-Dibromo-2-picoline; 3,5-Dibromo-2-methylpyridine

Database IDs

• CAS Number: 38749-87-0
• PubChem SID: 162075707
• PubChem CID: 619705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.423944
• LogD (pH = 7.4): 2.4244425
• Log P: 2.4244487
• Molar Refractivity: 43.7382 cm^3
• Polarizability: 17.132402 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 95+%; 97%