2-(4-hydroxyphenyl)pyridine-3-carboxamide

• ChemBase ID: 852083
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: c1(c(nccc1)c1ccc(cc1)O)C(=O)N
• Canonical SMILES: Oc1ccc(cc1)c1ncccc1C(=O)N
• InChI: InChI=1S/C12H10N2O2/c13-12(16)10-2-1-7-14-11(10)8-3-5-9(15)6-4-8/h1-7,15H,(H2,13,16)
• InChIKey: OPPNXAZIBCVHRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)pyridine-3-carboxamide
• IUPAC Traditional name: 2-(4-hydroxyphenyl)pyridine-3-carboxamide
• Synonyms: 2-(4-hydroxyphenyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.41362
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3316716
• LogD (pH = 7.4): 1.3315107
• Log P: 1.335724
• Molar Refractivity: 59.7246 cm^3
• Polarizability: 23.81833 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.96
• LOG S: -1.01
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2