1-(1,8-naphthyridin-2-yl)ethan-1-ol

• ChemBase ID: 810883
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: CC(O)c1ccc2c(n1)nccc2
• Canonical SMILES: CC(c1ccc2c(n1)nccc2)O
• InChI: InChI=1S/C10H10N2O/c1-7(13)9-5-4-8-3-2-6-11-10(8)12-9/h2-7,13H,1H3
• InChIKey: LJLDHJXLDFZRIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,8-naphthyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(1,8-naphthyridin-2-yl)ethanol
• Synonyms: 2-[1,8]NAPHTHYRIDIN-2-YL-ETHANOL

Database IDs

• CAS Number: 886362-87-4

CALCULATED PROPERTIES

• Acid pKa: 14.023001
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1211145
• LogD (pH = 7.4): 1.1211188
• Log P: 1.121119
• Molar Refractivity: 50.1828 cm^3
• Polarizability: 19.674635 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%