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

• ChemBase ID: 287603
• Molecular Formular: C6H3Cl2N3
• Molecular Mass: 188.01412
• Monoisotopic Mass: 186.97040247
• SMILES: Clc1c2c(nc[nH]2)nc(Cl)c1
• Canonical SMILES: Clc1cc(Cl)c2c(n1)nc[nH]2
• InChI: InChI=1S/C6H3Cl2N3/c7-3-1-4(8)11-6-5(3)9-2-10-6/h1-2H,(H,9,10,11)
• InChIKey: IKJFWUNKUZVHGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 24485-01-6
• MDL Number: MFCD11111407
• PubChem SID: 180673134
• PubChem CID: 5949802

CALCULATED PROPERTIES

• Acid pKa: 9.530996
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7945763
• LogD (pH = 7.4): 1.7922232
• Log P: 1.7951027
• Molar Refractivity: 45.0553 cm^3
• Polarizability: 16.982645 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%