1-cyclopropyl-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 240948
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1(cnc2c1ccnc2)C1CC1
• Canonical SMILES: c1ncc2c(c1)n(cn2)C1CC1
• InChI: InChI=1S/C9H9N3/c1-2-7(1)12-6-11-8-5-10-4-3-9(8)12/h3-7H,1-2H2
• InChIKey: OFMQGGOWJVCEKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 1-cyclopropylimidazo[4,5-c]pyridine
• Synonyms: 1-cyclopropyl-1H-imidazo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD22565864
• PubChem SID: 164296858
• PubChem CID: 19964837

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7290715
• LogD (pH = 7.4): 0.7310469
• Log P: 0.7310722
• Molar Refractivity: 44.9195 cm^3
• Polarizability: 18.488237 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): 1.069

Product Information

• Purity: 95%