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

• ChemBase ID: 865712
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(c2c(ccnc2)C)c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1cnccc1C
• InChI: InChI=1S/C12H12N2O/c1-9-5-7-13-8-11(9)10-4-3-6-14-12(10)15-2/h3-8H,1-2H3
• InChIKey: DKWMWKSEJDBWDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9387972
• LogD (pH = 7.4): 2.1320038
• Log P: 2.135334
• Molar Refractivity: 58.6983 cm^3
• Polarizability: 23.804525 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: 1.6
• LOG S: -2.03
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2