4,6-dichloro-1-methyl-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 289129
• Molecular Formular: C7H5Cl2N3
• Molecular Mass: 202.0407
• Monoisotopic Mass: 200.98605254
• SMILES: Cn1cnc2c(Cl)nc(Cl)cc12
• Canonical SMILES: Clc1nc(Cl)c2c(c1)n(C)cn2
• InChI: InChI=1S/C7H5Cl2N3/c1-12-3-10-6-4(12)2-5(8)11-7(6)9/h2-3H,1H3
• InChIKey: VCZOGUNYQWANJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-1-methyl-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 4,6-dichloro-1-methylimidazo[4,5-c]pyridine
• Synonyms: 4,6-Dichloro-1-methyl-1H-imidazo[4,5-c]pyridine

Database IDs

• CAS Number: 887147-19-5
• MDL Number: MFCD21603853
• PubChem SID: 180674660
• PubChem CID: 57754346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9128853
• LogD (pH = 7.4): 1.9139379
• Log P: 1.9139514
• Molar Refractivity: 49.4405 cm^3
• Polarizability: 19.43658 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%