5-(2-methoxypyridin-3-yl)pyridin-2-amine

• ChemBase ID: 461705
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(c(c2cnc(N)cc2)cccn1)OC
• Canonical SMILES: COc1ncccc1c1ccc(nc1)N
• InChI: InChI=1S/C11H11N3O/c1-15-11-9(3-2-6-13-11)8-4-5-10(12)14-7-8/h2-7H,1H3,(H2,12,14)
• InChIKey: IJYABASUEHHTQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196152-56-3

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7273744
• LogD (pH = 7.4): 1.3658806
• Log P: 1.3874441
• Molar Refractivity: 58.671 cm^3
• Polarizability: 23.155506 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

PROPERTIES

Product Information

• Purity: 98%