2,7-dimethyl-1H-imidazo[4,5-b]pyridine

• ChemBase ID: 241266
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1c2c([nH]c1C)c(ccn2)C
• Canonical SMILES: Cc1[nH]c2c(n1)nccc2C
• InChI: InChI=1S/C8H9N3/c1-5-3-4-9-8-7(5)10-6(2)11-8/h3-4H,1-2H3,(H,9,10,11)
• InChIKey: KLRKPOJJEMOZLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-1H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 2,7-dimethyl-1H-imidazo[4,5-b]pyridine
• Synonyms: 2,7-dimethyl-1H-imidazo[4,5-b]pyridine

Database IDs

• MDL Number: MFCD08062985
• PubChem SID: 164297176
• PubChem CID: 22388553

CALCULATED PROPERTIES

• Acid pKa: 11.505795
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9934639
• LogD (pH = 7.4): 1.0031668
• Log P: 1.0033222
• Molar Refractivity: 43.8663 cm^3
• Polarizability: 16.619331 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 1.43

Product Information

• Purity: 95%