5-(5-chloro-2-methoxypyridin-4-yl)-4-methylpyridin-2-amine

• ChemBase ID: 826959
• Molecular Formular: C12H12ClN3O
• Molecular Mass: 249.69618
• Monoisotopic Mass: 249.0668897
• SMILES: c1(c2c(cc(nc2)N)C)c(cnc(c1)OC)Cl
• Canonical SMILES: COc1ncc(c(c1)c1cnc(cc1C)N)Cl
• InChI: InChI=1S/C12H12ClN3O/c1-7-3-11(14)15-5-9(7)8-4-12(17-2)16-6-10(8)13/h3-6H,1-2H3,(H2,14,15)
• InChIKey: IKUQOMBFMMJZQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-chloro-2-methoxypyridin-4-yl)-4-methylpyridin-2-amine
• IUPAC Traditional name: 5-(5-chloro-2-methoxypyridin-4-yl)-4-methylpyridin-2-amine
• Synonyms: 5'-chloro-2'-methoxy-4-methyl-3,4'-bipyridin-6-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2578655
• LogD (pH = 7.4): 2.3388822
• Log P: 2.5049102
• Molar Refractivity: 68.517 cm^3
• Polarizability: 26.78069 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: 2.99
• LOG S: -3.58
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2