2-(4-aminopyridin-3-yl)ethan-1-ol

• ChemBase ID: 799162
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C(Cc1cnccc1N)O
• Canonical SMILES: Nc1ccncc1CCO
• InChI: InChI=1S/C7H10N2O/c8-7-1-3-9-5-6(7)2-4-10/h1,3,5,10H,2,4H2,(H2,8,9)
• InChIKey: CXVQJSHZJBXXEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopyridin-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-aminopyridin-3-yl)ethanol
• Synonyms: 2-(4-aminopyridin-3-yl)ethanol

Database IDs

• CAS Number: 755033-98-8

CALCULATED PROPERTIES

• Acid pKa: 15.813167
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5366096
• LogD (pH = 7.4): -1.4832422
• Log P: -0.5520411
• Molar Refractivity: 40.1724 cm^3
• Polarizability: 14.790892 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%