2-[(6-methoxypyridin-3-yl)amino]ethan-1-ol

• ChemBase ID: 260870
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: n1c(ccc(c1)NCCO)OC
• Canonical SMILES: OCCNc1ccc(nc1)OC
• InChI: InChI=1S/C8H12N2O2/c1-12-8-3-2-7(6-10-8)9-4-5-11/h2-3,6,9,11H,4-5H2,1H3
• InChIKey: FFJDBUIRIXMJOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-methoxypyridin-3-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(6-methoxypyridin-3-yl)amino]ethanol
• Synonyms: 2-[(6-methoxypyridin-3-yl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD11149972
• PubChem SID: 164316780
• PubChem CID: 28564687

CALCULATED PROPERTIES

• Acid pKa: 15.588341
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.02673202
• LogD (pH = 7.4): -0.024986537
• Log P: -0.024964232
• Molar Refractivity: 47.1639 cm^3
• Polarizability: 17.41022 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.201

Product Information

• Purity: 95%