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

• ChemBase ID: 796126
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n1cc(c(cc1)N)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1cnccc1N
• InChI: InChI=1S/C11H11N3O/c1-15-11-8(3-2-5-14-11)9-7-13-6-4-10(9)12/h2-7H,1H3,(H2,12,13)
• InChIKey: SGRPJELMCQDKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxypyridin-3-yl)pyridin-4-amine
• IUPAC Traditional name: 3-(2-methoxypyridin-3-yl)pyridin-4-amine
• Synonyms: 2'-Methoxy-[3,3'-bipyridin]-4-aMine

Database IDs

• CAS Number: 1258620-65-3

CALCULATED PROPERTIES

• Log P: 0.79298663
• Molar Refractivity: 58.3575 cm^3
• Polarizability: 23.154684 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.18811175
• LogD (pH = 7.4): 0.055018723

PROPERTIES

Product Information

• Purity: 98%