3-[2-(methoxymethoxy)benzoyl]pyridine

• ChemBase ID: 306482
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(c1c(OCOC)cccc1)c1cnccc1
• Canonical SMILES: COCOc1ccccc1C(=O)c1cccnc1
• InChI: InChI=1S/C14H13NO3/c1-17-10-18-13-7-3-2-6-12(13)14(16)11-5-4-8-15-9-11/h2-9H,10H2,1H3
• InChIKey: PGDCMZBPSVKHPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(methoxymethoxy)benzoyl]pyridine
• IUPAC Traditional name: 3-[2-(methoxymethoxy)benzoyl]pyridine
• Synonyms: [2-(methoxymethoxy)phenyl](pyridin-3-yl)methanone

Database IDs

• CAS Number: 474534-40-2
• MDL Number: MFCD09055149

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.114109
• LogD (pH = 7.4): 2.120301
• Log P: 2.1203806
• Molar Refractivity: 66.7928 cm^3
• Polarizability: 26.12926 Å^3
• Polar Surface Area: 48.42 Å^2