4-hydroxy-N-(pyridin-2-yl)benzamide

• ChemBase ID: 270317
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: C(=O)(Nc1ncccc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(=O)Nc1ccccn1
• InChI: InChI=1S/C12H10N2O2/c15-10-6-4-9(5-7-10)12(16)14-11-3-1-2-8-13-11/h1-8,15H,(H,13,14,16)
• InChIKey: FHMHJVCJGXMNLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-(pyridin-2-yl)benzamide
• IUPAC Traditional name: 4-hydroxy-N-(pyridin-2-yl)benzamide
• Synonyms: 4-hydroxy-N-(pyridin-2-yl)benzamide

Database IDs

• MDL Number: MFCD01176152
• PubChem SID: 164326227
• PubChem CID: 18353249

CALCULATED PROPERTIES

• Acid pKa: 8.58629
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1373432
• LogD (pH = 7.4): 2.111137
• Log P: 2.1383505
• Molar Refractivity: 61.729 cm^3
• Polarizability: 22.644203 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 1.653

Product Information

• Purity: 95%