6-(2-methoxypyridin-3-yl)pyridin-2-amine

• ChemBase ID: 814576
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n1c(cccc1N)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1cccc(n1)N
• InChI: InChI=1S/C11H11N3O/c1-15-11-8(4-3-7-13-11)9-5-2-6-10(12)14-9/h2-7H,1H3,(H2,12,14)
• InChIKey: CTHPPQZABCFGAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196153-49-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6465117
• LogD (pH = 7.4): 1.7714382
• Log P: 1.7732944
• Molar Refractivity: 58.299 cm^3
• Polarizability: 23.162611 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%