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

• ChemBase ID: 657271
• Molecular Formular: C13H15N3O2
• Molecular Mass: 245.2771
• Monoisotopic Mass: 245.11642674
• SMILES: c12C(c3c(c(OC)ccc3)O)NCCc2[nH]cn1
• Canonical SMILES: COc1cccc(c1O)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C13H15N3O2/c1-18-10-4-2-3-8(13(10)17)11-12-9(5-6-14-11)15-7-16-12/h2-4,7,11,14,17H,5-6H2,1H3,(H,15,16)
• InChIKey: VUVZMLWRTUPTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-6-methoxyphenol
• IUPAC Traditional name: 2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-6-methoxyphenol
• Synonyms: 2-methoxy-6-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.157604
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.3862585
• LogD (pH = 7.4): 0.12973633
• Log P: 0.43493003
• Molar Refractivity: 67.8381 cm^3
• Polarizability: 26.099194 Å^3
• Polar Surface Area: 70.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.12
• LOG S: 0.12
• Polar Surface Area: 70.17 Å^2
• Rotatable Bonds: 2