2-(oxolane-2-carbonyl)pyridine

• ChemBase ID: 307973
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(c1ncccc1)C1OCCC1
• Canonical SMILES: O=C(c1ccccn1)C1CCCO1
• InChI: InChI=1S/C10H11NO2/c12-10(9-5-3-7-13-9)8-4-1-2-6-11-8/h1-2,4,6,9H,3,5,7H2
• InChIKey: RBYCNYKROLTBCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolane-2-carbonyl)pyridine
• IUPAC Traditional name: 2-(oxolane-2-carbonyl)pyridine
• Synonyms: 2-pyridinyl(tetrahydro-2-furanyl)methanone

Database IDs

• CAS Number: 959239-35-1
• MDL Number: MFCD09864472

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1424024
• LogD (pH = 7.4): 1.1426996
• Log P: 1.1427034
• Molar Refractivity: 47.6716 cm^3
• Polarizability: 18.662785 Å^3
• Polar Surface Area: 39.19 Å^2