5-(2-bromoethyl)-2-chloropyridine

• ChemBase ID: 801465
• Molecular Formular: C7H7BrClN
• Molecular Mass: 220.49418
• Monoisotopic Mass: 218.94503891
• SMILES: n1c(ccc(c1)CCBr)Cl
• Canonical SMILES: BrCCc1ccc(nc1)Cl
• InChI: InChI=1S/C7H7BrClN/c8-4-3-6-1-2-7(9)10-5-6/h1-2,5H,3-4H2
• InChIKey: SPFWUODXHKZRAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-bromoethyl)-2-chloropyridine
• IUPAC Traditional name: 5-(2-bromoethyl)-2-chloropyridine
• Synonyms: 5-(2-BROMOETHYL)-2-CHLOROPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6411564
• LogD (pH = 7.4): 2.6411934
• Log P: 2.6411939
• Molar Refractivity: 47.3726 cm^3
• Polarizability: 17.7613 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%