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

• ChemBase ID: 287587
• Molecular Formular: C6H3Cl2N3
• Molecular Mass: 188.01412
• Monoisotopic Mass: 186.97040247
• SMILES: Clc1ccc2c(nc(Cl)[nH]2)n1
• Canonical SMILES: Clc1ccc2c(n1)nc([nH]2)Cl
• InChI: InChI=1S/C6H3Cl2N3/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H,9,10,11)
• InChIKey: CKQVHGHQFAOFNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 438190-90-0
• MDL Number: MFCD11518936
• PubChem SID: 180673118
• PubChem CID: 12071669

CALCULATED PROPERTIES

• Acid pKa: 7.7758536
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.103048
• LogD (pH = 7.4): 1.9743567
• Log P: 2.1050723
• Molar Refractivity: 45.2764 cm^3
• Polarizability: 17.039625 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%