5-hydroxypyridine-3-carboxamide

• ChemBase ID: 248054
• Molecular Formular: C6H6N2O2
• Molecular Mass: 138.12404
• Monoisotopic Mass: 138.04292744
• SMILES: c1(C(=O)N)cc(cnc1)O
• Canonical SMILES: NC(=O)c1cc(O)cnc1
• InChI: InChI=1S/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10)
• InChIKey: UIJCDEKRKCCYIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxypyridine-3-carboxamide
• IUPAC Traditional name: 5-hydroxypyridine-3-carboxamide
• Synonyms: 5-hydroxynicotinamide; 5-hydroxypyridine-3-carboxamide

Database IDs

• CAS Number: 101512-21-4
• MDL Number: MFCD01199201
• PubChem SID: 164303964
• PubChem CID: 354313

CALCULATED PROPERTIES

• Acid pKa: 8.00392
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.70538664
• LogD (pH = 7.4): -0.7917969
• Log P: -0.69735163
• Molar Refractivity: 34.9604 cm^3
• Polarizability: 12.934079 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 0.133

Product Information

• Purity: 95%