2-bromo-6-(bromomethyl)pyridine

• ChemBase ID: 50683
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: n1c(Br)cccc1CBr
• Canonical SMILES: BrCc1cccc(n1)Br
• InChI: InChI=1S/C6H5Br2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
• InChIKey: LSRDTCMNGSMEEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(bromomethyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(bromomethyl)pyridine
• Synonyms: 2-Bromo-6-bromomethyl-pyridine; 2-Bromo-6-(bromomethyl)pyridine

Database IDs

• CAS Number: 830004-10-8; 83004-10-8
• MDL Number: MFCD07368202
• PubChem SID: 162055446
• PubChem CID: 12954796

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5840518
• LogD (pH = 7.4): 2.584057
• Log P: 2.5840573
• Molar Refractivity: 44.6943 cm^3
• Polarizability: 17.152765 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 96%