2-hydroxynaphthalene-1-carbohydrazide

• ChemBase ID: 27127
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(C(=O)NN)c2c(ccc1O)cccc2
• Canonical SMILES: NNC(=O)c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C11H10N2O2/c12-13-11(15)10-8-4-2-1-3-7(8)5-6-9(10)14/h1-6,14H,12H2,(H,13,15)
• InChIKey: AVOTZUQUEPHOHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxynaphthalene-1-carbohydrazide
• IUPAC Traditional name: 2-hydroxynaphthalene-1-carbohydrazide
• Synonyms: 2-Hydroxy-1-naphthohydrazide

Database IDs

• MDL Number: MFCD03422935
• PubChem SID: 160990434
• PubChem CID: 248581

CALCULATED PROPERTIES

• Acid pKa: 7.922784
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8613309
• LogD (pH = 7.4): 1.7503251
• Log P: 1.8633219
• Molar Refractivity: 58.0516 cm^3
• Polarizability: 22.69947 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false