2,3-dimethyl-6-(3,4,5-trimethoxyphenyl)pyridine

• ChemBase ID: 686150
• Molecular Formular: C16H19NO3
• Molecular Mass: 273.32696
• Monoisotopic Mass: 273.13649347
• SMILES: n1c(c2cc(c(c(c2)OC)OC)OC)ccc(c1C)C
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1ccc(c(n1)C)C
• InChI: InChI=1S/C16H19NO3/c1-10-6-7-13(17-11(10)2)12-8-14(18-3)16(20-5)15(9-12)19-4/h6-9H,1-5H3
• InChIKey: PDPYJHOCCNXIHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-(3,4,5-trimethoxyphenyl)pyridine
• IUPAC Traditional name: 2,3-dimethyl-6-(3,4,5-trimethoxyphenyl)pyridine
• Synonyms: 2,3-dimethyl-6-(3,4,5-trimethoxyphenyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6931195
• LogD (pH = 7.4): 2.9557533
• Log P: 2.9604268
• Molar Refractivity: 77.6876 cm^3
• Polarizability: 31.471466 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.1
• LOG S: -3.85
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4