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

• ChemBase ID: 272863
• Molecular Formular: C11H9N3O2
• Molecular Mass: 215.20806
• Monoisotopic Mass: 215.06947654
• SMILES: C(=O)(c1ncccc1O)Nc1cnccc1
• Canonical SMILES: O=C(c1ncccc1O)Nc1cccnc1
• InChI: InChI=1S/C11H9N3O2/c15-9-4-2-6-13-10(9)11(16)14-8-3-1-5-12-7-8/h1-7,15H,(H,14,16)
• InChIKey: UCDVBOBMYKNVEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12808022
• PubChem SID: 164328773
• PubChem CID: 51890202

CALCULATED PROPERTIES

• Acid pKa: 7.2642355
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6738262
• LogD (pH = 7.4): 0.34665686
• Log P: 0.71207076
• Molar Refractivity: 58.8866 cm^3
• Polarizability: 21.772957 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): -0.156

Product Information

• Purity: 95%