2-(2-methoxybenzoyl)pyridine

• ChemBase ID: 244134
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: C(=O)(c1c(OC)cccc1)c1ncccc1
• Canonical SMILES: COc1ccccc1C(=O)c1ccccn1
• InChI: InChI=1S/C13H11NO2/c1-16-12-8-3-2-6-10(12)13(15)11-7-4-5-9-14-11/h2-9H,1H3
• InChIKey: JKSBOLDIANUQNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxybenzoyl)pyridine
• IUPAC Traditional name: 2-(2-methoxybenzoyl)pyridine
• Synonyms: 2-(2-methoxybenzoyl)pyridine

Database IDs

• MDL Number: MFCD07699223
• PubChem SID: 164300044
• PubChem CID: 603942

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4427907
• LogD (pH = 7.4): 2.4431014
• Log P: 2.4431055
• Molar Refractivity: 60.5678 cm^3
• Polarizability: 23.601547 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 2.562

Product Information

• Purity: 95%