2-chloro-5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

• ChemBase ID: 661955
• Molecular Formular: C11H11ClN4
• Molecular Mass: 234.68484
• Monoisotopic Mass: 234.06722405
• SMILES: c12C(c3cnc(cc3)Cl)NCCc2[nH]cn1
• Canonical SMILES: Clc1ccc(cn1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C11H11ClN4/c12-9-2-1-7(5-14-9)10-11-8(3-4-13-10)15-6-16-11/h1-2,5-6,10,13H,3-4H2,(H,15,16)
• InChIKey: DWVBTVWUBNFFGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• IUPAC Traditional name: 2-chloro-5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• Synonyms: 4-(6-chloropyridin-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.94332
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6259205
• LogD (pH = 7.4): 0.5934674
• Log P: 0.7687635
• Molar Refractivity: 63.1032 cm^3
• Polarizability: 24.013176 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.05
• LOG S: 0.05
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1