2-(2-aminopyridin-3-yl)ethan-1-ol

• ChemBase ID: 799267
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C(Cc1c(nccc1)N)O
• Canonical SMILES: Nc1ncccc1CCO
• InChI: InChI=1S/C7H10N2O/c8-7-6(3-5-10)2-1-4-9-7/h1-2,4,10H,3,5H2,(H2,8,9)
• InChIKey: WXLBHOMNJPKFIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminopyridin-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2-aminopyridin-3-yl)ethanol
• Synonyms: 2-(2-Amino-pyridin-3-yl)-ethanol

Database IDs

• CAS Number: 954240-84-7

CALCULATED PROPERTIES

• Acid pKa: 15.818775
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2304219
• LogD (pH = 7.4): -0.14469112
• Log P: 0.0424164
• Molar Refractivity: 40.4859 cm^3
• Polarizability: 14.795004 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%