2-bromo-6-(propan-2-yloxy)pyridine

• ChemBase ID: 804097
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(cccc1OC(C)C)Br
• Canonical SMILES: CC(Oc1cccc(n1)Br)C
• InChI: InChI=1S/C8H10BrNO/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3
• InChIKey: RBQOILDHZGNUQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 2-bromo-6-isopropoxypyridine
• Synonyms: 2-BROMO-6-ISOPROPOXYPYRIDINE

Database IDs

• CAS Number: 463336-87-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.940017
• LogD (pH = 7.4): 2.9400172
• Log P: 2.9400172
• Molar Refractivity: 48.3102 cm^3
• Polarizability: 18.513792 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%