N,1-dihydroxynaphthalene-2-carboxamide

• ChemBase ID: 278759
• Molecular Formular: C11H9NO3
• Molecular Mass: 203.19406
• Monoisotopic Mass: 203.05824315
• SMILES: c1(c(c2c(cc1)cccc2)O)C(=O)NO
• Canonical SMILES: ONC(=O)c1ccc2c(c1O)cccc2
• InChI: InChI=1S/C11H9NO3/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12-15/h1-6,13,15H,(H,12,14)
• InChIKey: IVIFHBRWCULHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dihydroxynaphthalene-2-carboxamide
• IUPAC Traditional name: N,1-dihydroxynaphthalene-2-carboxamide
• Synonyms: N,1-dihydroxynaphthalene-2-carboxamide

Database IDs

• MDL Number: MFCD09933009
• PubChem SID: 164334669
• PubChem CID: 20199403

CALCULATED PROPERTIES

• Acid pKa: 7.634231
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.1534643
• LogD (pH = 7.4): 1.9585074
• Log P: 2.1566157
• Molar Refractivity: 55.3321 cm^3
• Polarizability: 21.88514 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.051

Product Information

• Purity: 95%