4-(2-methoxypyridin-3-yl)pyridin-2-amine

• ChemBase ID: 462073
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(c2c(nccc2)OC)cc(ncc1)N
• Canonical SMILES: COc1ncccc1c1ccnc(c1)N
• InChI: InChI=1S/C11H11N3O/c1-15-11-9(3-2-5-14-11)8-4-6-13-10(12)7-8/h2-7H,1H3,(H2,12,13)
• InChIKey: DXZLXKWCQCYQBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxypyridin-3-yl)pyridin-2-amine
• IUPAC Traditional name: 4-(2-methoxypyridin-3-yl)pyridin-2-amine
• Synonyms: 2-methoxy-3,4'-bipyridin-2'-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7871895
• LogD (pH = 7.4): 1.3697289
• Log P: 1.3874441
• Molar Refractivity: 58.671 cm^3
• Polarizability: 23.157925 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: 1.14
• LOG S: -1.64
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2