4-bromo-2-(2-methoxyethoxy)pyridine

• ChemBase ID: 796524
• Molecular Formular: C8H10BrNO2
• Molecular Mass: 232.0745
• Monoisotopic Mass: 230.98949057
• SMILES: n1c(cc(cc1)Br)OCCOC
• Canonical SMILES: COCCOc1cc(Br)ccn1
• InChI: InChI=1S/C8H10BrNO2/c1-11-4-5-12-8-6-7(9)2-3-10-8/h2-3,6H,4-5H2,1H3
• InChIKey: VDYQLUMBDMESTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(2-methoxyethoxy)pyridine
• IUPAC Traditional name: 4-bromo-2-(2-methoxyethoxy)pyridine
• Synonyms: 4-BroMo-2-(2-Methoxyethoxy)pyridine

Database IDs

• CAS Number: 1289131-55-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9140556
• LogD (pH = 7.4): 1.9141357
• Log P: 1.9141368
• Molar Refractivity: 49.3441 cm^3
• Polarizability: 19.230957 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%