5-hydroxy-N-methylpyridine-2-carboxamide

• ChemBase ID: 89568
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: Oc1cnc(cc1)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(cn1)O
• InChI: InChI=1S/C7H8N2O2/c1-8-7(11)6-3-2-5(10)4-9-6/h2-4,10H,1H3,(H,8,11)
• InChIKey: VEVQBSJYFWZLQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-N-methylpyridine-2-carboxamide
• IUPAC Traditional name: 5-hydroxy-N-methylpyridine-2-carboxamide
• Synonyms: 5-Hydroxy-N-methylpicolinamide; 5-Hydroxy-2-(methylcarbamoyl)pyridine; 5-Hydroxy-N-methylpyridine-2-carboxamide

Database IDs

• CAS Number: 859538-76-4
• PubChem SID: 162076443
• PubChem CID: 23145687

CALCULATED PROPERTIES

• Acid pKa: 7.84274
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.08977003
• LogD (pH = 7.4): -0.21853021
• Log P: -0.087825246
• Molar Refractivity: 39.4851 cm^3
• Polarizability: 14.761919 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon