5-(6-methoxypyridin-3-yl)-3-methylpyridin-2-amine

• ChemBase ID: 327378
• Molecular Formular: C12H13N3O
• Molecular Mass: 215.25112
• Monoisotopic Mass: 215.10586205
• SMILES: n1c(c(cc(c1)c1cnc(cc1)OC)C)N
• Canonical SMILES: COc1ccc(cn1)c1cnc(c(c1)C)N
• InChI: InChI=1S/C12H13N3O/c1-8-5-10(7-15-12(8)13)9-3-4-11(16-2)14-6-9/h3-7H,1-2H3,(H2,13,15)
• InChIKey: SUQGITSRZATYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methoxypyridin-3-yl)-3-methylpyridin-2-amine
• IUPAC Traditional name: 5-(6-methoxypyridin-3-yl)-3-methylpyridin-2-amine
• Synonyms: 6'-methoxy-5-methyl-3,3'-bipyridin-6-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.84376836
• LogD (pH = 7.4): 1.821956
• Log P: 1.9008656
• Molar Refractivity: 63.7122 cm^3
• Polarizability: 24.916338 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -2.61
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2