4-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 689681
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: c1(c2c(ccc(c2)OC)OC)c2c([nH]cc2)ncc1
• Canonical SMILES: COc1ccc(c(c1)c1ccnc2c1cc[nH]2)OC
• InChI: InChI=1S/C15H14N2O2/c1-18-10-3-4-14(19-2)13(9-10)11-5-7-16-15-12(11)6-8-17-15/h3-9H,1-2H3,(H,16,17)
• InChIKey: QQZDLMZAFVSAEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 4-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 4-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.16917
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5399354
• LogD (pH = 7.4): 2.553504
• Log P: 2.5536802
• Molar Refractivity: 73.0028 cm^3
• Polarizability: 30.003513 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.17
• LOG S: -3.76
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 3