2-[4-(methoxymethoxy)benzoyl]pyridine

• ChemBase ID: 306480
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(c1ccc(cc1)OCOC)c1ncccc1
• Canonical SMILES: COCOc1ccc(cc1)C(=O)c1ccccn1
• InChI: InChI=1S/C14H13NO3/c1-17-10-18-12-7-5-11(6-8-12)14(16)13-4-2-3-9-15-13/h2-9H,10H2,1H3
• InChIKey: JYSUVVIQPSJOLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(methoxymethoxy)benzoyl]pyridine
• IUPAC Traditional name: 2-[4-(methoxymethoxy)benzoyl]pyridine
• Synonyms: [4-(methoxymethoxy)phenyl](pyridin-2-yl)methanone

Database IDs

• CAS Number: 474534-39-9
• MDL Number: MFCD09055148

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5058355
• LogD (pH = 7.4): 2.5062258
• Log P: 2.5062308
• Molar Refractivity: 66.4208 cm^3
• Polarizability: 26.13056 Å^3
• Polar Surface Area: 48.42 Å^2