N'-[(1E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide

• ChemBase ID: 263750
• Molecular Formular: C17H13N3O2
• Molecular Mass: 291.30402
• Monoisotopic Mass: 291.10077667
• SMILES: c1(c2c(ccc1O)cccc2)/C=N/NC(=O)c1ccncc1
• Canonical SMILES: O=C(c1ccncc1)N/N=C/c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+
• InChIKey: WQSHHAVECQJKLX-YBFXNURJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
• IUPAC Traditional name: N'-[(1E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
• Synonyms: N'-[(1E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide

Database IDs

• MDL Number: MFCD00033110
• PubChem SID: 164319660
• PubChem CID: 5393914

CALCULATED PROPERTIES

• Acid pKa: 8.550581
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4296553
• LogD (pH = 7.4): 2.4019601
• Log P: 2.4313738
• Molar Refractivity: 84.5097 cm^3
• Polarizability: 32.52712 Å^3
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 266 - 268°C
• Hydrophobicity(logP): 3.244

Product Information

• Purity: 95%