4,6-dichloro-1-methyl-1H-imidazo[4,5-c]pyridin-7-amine

• ChemBase ID: 180498
• Molecular Formular: C7H6Cl2N4
• Molecular Mass: 217.05534
• Monoisotopic Mass: 215.99695157
• SMILES: c1(c2c(c(c(n1)Cl)N)n(cn2)C)Cl
• Canonical SMILES: Clc1nc(Cl)c2c(c1N)n(C)cn2
• InChI: InChI=1S/C7H6Cl2N4/c1-13-2-11-4-5(13)3(10)6(8)12-7(4)9/h2H,10H2,1H3
• InChIKey: FSUVFALYBDURBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-1-methyl-1H-imidazo[4,5-c]pyridin-7-amine
• IUPAC Traditional name: 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine
• Synonyms: 4,6-Dichloro-1-methyl-1H-imidazo[4,5-c]pyridin-7-amine

Database IDs

• CAS Number: 805316-72-7
• PubChem SID: 164236408
• PubChem CID: 21083920

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0847716
• LogD (pH = 7.4): 1.0850222
• Log P: 1.0850254
• Molar Refractivity: 54.1409 cm^3
• Polarizability: 20.58835 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true