2-bromo-6-(oxan-4-yloxy)pyridine

• ChemBase ID: 101392
• Molecular Formular: C10H12BrNO2
• Molecular Mass: 258.11178
• Monoisotopic Mass: 257.00514063
• SMILES: n1c(OC2CCOCC2)cccc1Br
• Canonical SMILES: Brc1cccc(n1)OC1CCOCC1
• InChI: InChI=1S/C10H12BrNO2/c11-9-2-1-3-10(12-9)14-8-4-6-13-7-5-8/h1-3,8H,4-7H2
• InChIKey: VLEKIKTZHYMZEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(oxan-4-yloxy)pyridine
• IUPAC Traditional name: 2-bromo-6-(oxan-4-yloxy)pyridine
• Synonyms: 2-bromo-6-(tetrahydropyran-4-yloxy)pyridine

Database IDs

• CAS Number: 892502-16-8
• MDL Number: MFCD12198112
• PubChem SID: 162088525
• PubChem CID: 43811040

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1278203
• LogD (pH = 7.4): 2.1278205
• Log P: 2.1278205
• Molar Refractivity: 57.6183 cm^3
• Polarizability: 22.20506 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%