3-hydroxy-N-(pyrazin-2-yl)pyridine-2-carboxamide

• ChemBase ID: 238214
• Molecular Formular: C10H8N4O2
• Molecular Mass: 216.19612
• Monoisotopic Mass: 216.06472552
• SMILES: c1(C(=O)Nc2nccnc2)ncccc1O
• Canonical SMILES: O=C(c1ncccc1O)Nc1nccnc1
• InChI: InChI=1S/C10H8N4O2/c15-7-2-1-3-13-9(7)10(16)14-8-6-11-4-5-12-8/h1-6,15H,(H,12,14,16)
• InChIKey: RJDZKEDRFMNQKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(pyrazin-2-yl)pyridine-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-(pyrazin-2-yl)pyridine-2-carboxamide
• Synonyms: 3-hydroxy-N-pyrazin-2-ylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD12808063
• PubChem SID: 164294124
• PubChem CID: 60923951

CALCULATED PROPERTIES

• Acid pKa: 7.21852
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.08082109
• LogD (pH = 7.4): -0.29998648
• Log P: 0.08885588
• Molar Refractivity: 57.0432 cm^3
• Polarizability: 20.917841 Å^3
• Polar Surface Area: 88.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): -0.773

Product Information

• Purity: 95%