2-bromo-5-(2-bromoethyl)pyridine

• ChemBase ID: 801466
• Molecular Formular: C7H7Br2N
• Molecular Mass: 264.94518
• Monoisotopic Mass: 262.89452323
• SMILES: n1c(ccc(c1)CCBr)Br
• Canonical SMILES: BrCCc1ccc(nc1)Br
• InChI: InChI=1S/C7H7Br2N/c8-4-3-6-1-2-7(9)10-5-6/h1-2,5H,3-4H2
• InChIKey: JSSMFPSFAXVTNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(2-bromoethyl)pyridine
• IUPAC Traditional name: 2-bromo-5-(2-bromoethyl)pyridine
• Synonyms: 2-BROMO-5-(2-BROMOETHYL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7911506
• LogD (pH = 7.4): 2.7912455
• Log P: 2.7912467
• Molar Refractivity: 49.9715 cm^3
• Polarizability: 18.859295 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%