5-bromo-2-(methoxymethoxy)pyridine

• ChemBase ID: 797659
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: n1c(ccc(c1)Br)OCOC
• Canonical SMILES: COCOc1ccc(cn1)Br
• InChI: InChI=1S/C7H8BrNO2/c1-10-5-11-7-3-2-6(8)4-9-7/h2-4H,5H2,1H3
• InChIKey: FIJXQBUMQGSMKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(methoxymethoxy)pyridine
• IUPAC Traditional name: 5-bromo-2-(methoxymethoxy)pyridine
• Synonyms: 5-BroMo-2-(MethoxyMethoxy)pyridine

Database IDs

• CAS Number: 247189-74-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0242288
• LogD (pH = 7.4): 2.0242376
• Log P: 2.0242376
• Molar Refractivity: 44.1536 cm^3
• Polarizability: 17.433174 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%