tert-butyl N-(5-hydroxypyridin-2-yl)carbamate

• ChemBase ID: 804047
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: N(C(=O)OC(C)(C)C)c1ncc(cc1)O
• Canonical SMILES: O=C(OC(C)(C)C)Nc1ccc(cn1)O
• InChI: InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-8-5-4-7(13)6-11-8/h4-6,13H,1-3H3,(H,11,12,14)
• InChIKey: PTSCRRDRANSZAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(5-hydroxypyridin-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(5-hydroxypyridin-2-yl)carbamate
• Synonyms: (5-HYDROXY-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• Acid pKa: 8.590991
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9523623
• LogD (pH = 7.4): 1.9307714
• Log P: 1.9574268
• Molar Refractivity: 56.4877 cm^3
• Polarizability: 21.17459 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%