4-hydroxy-N-(pyridin-3-yl)benzamide

• ChemBase ID: 264571
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: C(=O)(Nc1cnccc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(=O)Nc1cccnc1
• InChI: InChI=1S/C12H10N2O2/c15-11-5-3-9(4-6-11)12(16)14-10-2-1-7-13-8-10/h1-8,15H,(H,14,16)
• InChIKey: GWJCQSOGHIMWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-(pyridin-3-yl)benzamide
• IUPAC Traditional name: 4-hydroxy-N-(pyridin-3-yl)benzamide
• Synonyms: 4-hydroxy-N-(pyridin-3-yl)benzamide

Database IDs

• MDL Number: MFCD07633133
• PubChem SID: 164320481
• PubChem CID: 15965764

CALCULATED PROPERTIES

• Acid pKa: 8.604315
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5158105
• LogD (pH = 7.4): 1.5172865
• Log P: 1.5438929
• Molar Refractivity: 61.4155 cm^3
• Polarizability: 22.641708 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 273 - 275°C
• Hydrophobicity(logP): 1.653

Product Information

• Purity: 95%