2-(propan-2-yloxy)pyridine

• ChemBase ID: 815610
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: n1c(cccc1)OC(C)C
• Canonical SMILES: CC(Oc1ccccn1)C
• InChI: InChI=1S/C8H11NO/c1-7(2)10-8-5-3-4-6-9-8/h3-7H,1-2H3
• InChIKey: IFZZDINNCWFGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 16096-13-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9647081
• LogD (pH = 7.4): 1.9657296
• Log P: 1.9657426
• Molar Refractivity: 39.8452 cm^3
• Polarizability: 15.633226 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%