ethyl 5-amino-4-hydroxypyridine-2-carboxylate

• ChemBase ID: 814131
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: O(C(=O)c1cc(c(cn1)N)O)CC
• Canonical SMILES: CCOC(=O)c1cc(O)c(cn1)N
• InChI: InChI=1S/C8H10N2O3/c1-2-13-8(12)6-3-7(11)5(9)4-10-6/h3-4H,2,9H2,1H3,(H,10,11)
• InChIKey: MDTUYZGVVLUGAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-amino-4-hydroxypyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-amino-4-hydroxypyridine-2-carboxylate
• Synonyms: ethyl 5-amino-4-hydroxypicolinate

Database IDs

• CAS Number: 1196156-79-2

CALCULATED PROPERTIES

• Acid pKa: 10.53599
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.1691509
• LogD (pH = 7.4): 0.16890463
• Log P: 0.16921736
• Molar Refractivity: 46.9843 cm^3
• Polarizability: 17.512772 Å^3
• Polar Surface Area: 85.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%