2,3-bis(benzyloxy)pyridine

• ChemBase ID: 51573
• Molecular Formular: C19H17NO2
• Molecular Mass: 291.34378
• Monoisotopic Mass: 291.12592879
• SMILES: c1cnc(c(c1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1ncccc1OCc1ccccc1
• InChI: InChI=1S/C19H17NO2/c1-3-8-16(9-4-1)14-21-18-12-7-13-20-19(18)22-15-17-10-5-2-6-11-17/h1-13H,14-15H2
• InChIKey: FKBLXSTVQUPYIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(benzyloxy)pyridine
• IUPAC Traditional name: 2,3-bis(benzyloxy)pyridine
• Synonyms: 2,3-Bis(benzyloxy)pyridine; 2,3-Bis(benzyloxy)pyridine

Database IDs

• MDL Number: MFCD15530270
• PubChem SID: 162056336
• PubChem CID: 18950229

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4829907
• LogD (pH = 7.4): 4.4836264
• Log P: 4.4836345
• Molar Refractivity: 86.3662 cm^3
• Polarizability: 33.675964 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C19H17NO2

DETAILS

Sigma Aldrich - ADE000113

Other Notes
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