4-(oxolan-2-ylmethoxy)pyridine

• ChemBase ID: 286574
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: n1ccc(OCC2OCCC2)cc1
• Canonical SMILES: C1COC(C1)COc1ccncc1
• InChI: InChI=1S/C10H13NO2/c1-2-10(12-7-1)8-13-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2
• InChIKey: XIISBLOJVJOKSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxolan-2-ylmethoxy)pyridine
• IUPAC Traditional name: 4-(oxolan-2-ylmethoxy)pyridine
• Synonyms: 4-(oxolan-2-ylmethoxy)pyridine

Database IDs

• MDL Number: MFCD22056499
• PubChem SID: 180672105
• PubChem CID: 73994897

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2942997
• LogD (pH = 7.4): 0.97316915
• Log P: 1.0164912
• Molar Refractivity: 48.619 cm^3
• Polarizability: 19.27634 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.43

Product Information

• Purity: 95%