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

• ChemBase ID: 272820
• Molecular Formular: C11H9N3O2
• Molecular Mass: 215.20806
• Monoisotopic Mass: 215.06947654
• SMILES: C(=O)(c1ncccc1O)Nc1ncccc1
• Canonical SMILES: O=C(c1ncccc1O)Nc1ccccn1
• InChI: InChI=1S/C11H9N3O2/c15-8-4-3-7-13-10(8)11(16)14-9-5-1-2-6-12-9/h1-7,15H,(H,12,14,16)
• InChIKey: DZWRIRNGYPMYFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12808019
• PubChem SID: 164328730
• PubChem CID: 51890201

CALCULATED PROPERTIES

• Acid pKa: 7.2415957
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2982336
• LogD (pH = 7.4): 0.932708
• Log P: 1.3065283
• Molar Refractivity: 59.2001 cm^3
• Polarizability: 21.775488 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): -0.156

Product Information

• Purity: 95%