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

• ChemBase ID: 289180
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: Clc1nc2c([nH]1)cccn2
• Canonical SMILES: Clc1nc2c([nH]1)cccn2
• InChI: InChI=1S/C6H4ClN3/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H,8,9,10)
• InChIKey: SIRRAQQGGCNHQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 104685-82-7
• MDL Number: MFCD04114566
• PubChem SID: 180674711
• PubChem CID: 14626210

CALCULATED PROPERTIES

• Acid pKa: 7.9832673
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2795851
• LogD (pH = 7.4): 1.1937908
• Log P: 1.2808504
• Molar Refractivity: 39.4103 cm^3
• Polarizability: 15.0586815 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%