2-(4,5-dihydro-1H-imidazol-2-yl)pyridine

• ChemBase ID: 236321
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: C1(=NCCN1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)C1=NCCN1
• InChI: InChI=1S/C8H9N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4H,5-6H2,(H,10,11)
• InChIKey: BPPSPXOWNGOEGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
• IUPAC Traditional name: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine
• Synonyms: 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine

Database IDs

• MDL Number: MFCD09743888
• PubChem SID: 164292231
• PubChem CID: 345764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.94584566
• LogD (pH = 7.4): 0.28318948
• Log P: 0.3916527
• Molar Refractivity: 42.489 cm^3
• Polarizability: 16.07764 Å^3
• Polar Surface Area: 37.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.146

Product Information

• Purity: 95%