7-chloro-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 63269
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: c1c2c(c(cn1)Cl)[nH]cn2
• Canonical SMILES: Clc1cncc2c1[nH]cn2
• InChI: InChI=1S/C6H4ClN3/c7-4-1-8-2-5-6(4)10-3-9-5/h1-3H,(H,9,10)
• InChIKey: LQUJKUXIIDQDTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 7-chloro-1H-imidazo[4,5-c]pyridine
• Synonyms: 7-Chloro-1H-imidazo[4,5-c]pyridine; 7-Chloro-imidazo[4,5-c]pyridine

Database IDs

• CAS Number: 5975-13-3
• MDL Number: MFCD11501262
• PubChem SID: 162029008
• PubChem CID: 17750135

CALCULATED PROPERTIES

• Acid pKa: 10.126228
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.64533854
• LogD (pH = 7.4): 0.64513767
• Log P: 0.6458762
• Molar Refractivity: 37.6164 cm^3
• Polarizability: 15.653421 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%