4-(2-methoxypyridin-3-yl)-3-methylpyridine

• ChemBase ID: 423215
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(c2c(cncc2)C)c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1ccncc1C
• InChI: InChI=1S/C12H12N2O/c1-9-8-13-7-5-10(9)11-4-3-6-14-12(11)15-2/h3-8H,1-2H3
• InChIKey: NVNMMBPLNOSQOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxypyridin-3-yl)-3-methylpyridine
• IUPAC Traditional name: 4-(2-methoxypyridin-3-yl)-3-methylpyridine
• Synonyms: 2-methoxy-3'-methyl-3,4'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.059676
• LogD (pH = 7.4): 2.1342726
• Log P: 2.135334
• Molar Refractivity: 58.6983 cm^3
• Polarizability: 23.804436 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -2.46
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2