4-(azetidin-3-yl)pyridine

• ChemBase ID: 309222
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: N1CC(c2ccncc2)C1
• Canonical SMILES: N1CC(C1)c1ccncc1
• InChI: InChI=1S/C8H10N2/c1-3-9-4-2-7(1)8-5-10-6-8/h1-4,8,10H,5-6H2
• InChIKey: NMTRJQSTTCLCTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azetidin-3-yl)pyridine
• IUPAC Traditional name: 4-(azetidin-3-yl)pyridine
• Synonyms: 4-(3-azetidinyl)pyridine

Database IDs

• CAS Number: 790646-47-8
• MDL Number: MFCD13175921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2538843
• LogD (pH = 7.4): -2.3437366
• Log P: 0.09101143
• Molar Refractivity: 39.9443 cm^3
• Polarizability: 15.678849 Å^3
• Polar Surface Area: 24.92 Å^2