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

• ChemBase ID: 796546
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(cc(cc1)Br)OC(C)C
• Canonical SMILES: CC(Oc1nccc(c1)Br)C
• InChI: InChI=1S/C8H10BrNO/c1-6(2)11-8-5-7(9)3-4-10-8/h3-6H,1-2H3
• InChIKey: DGDIOQCZNZMIPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 4-bromo-2-isopropoxypyridine
• Synonyms: 4-BroMo-2-isopropoxypyridine

Database IDs

• CAS Number: 1142194-24-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7344153
• LogD (pH = 7.4): 2.7344942
• Log P: 2.7344952
• Molar Refractivity: 47.468 cm^3
• Polarizability: 18.460478 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%