2-[(E)-2-(pyridin-2-ylmethylidene)hydrazin-1-yl]quinoline

• ChemBase ID: 295871
• Molecular Formular: C15H12N4
• Molecular Mass: 248.28258
• Monoisotopic Mass: 248.1061964
• SMILES: c1ccc2c(c1)ccc(n2)N/N=C/c1ccccn1
• Canonical SMILES: c1ccc(nc1)/C=N/Nc1ccc2c(n1)cccc2
• InChI: InChI=1S/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)/b17-11+
• InChIKey: RQKUHYQNHJJIFO-GZTJUZNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(pyridin-2-ylmethylidene)hydrazin-1-yl]quinoline
• IUPAC Traditional name: 2-[(E)-2-(pyridin-2-ylmethylidene)hydrazin-1-yl]quinoline
• Synonyms: PAQU; Pyridine-2-carboxaldehyde 2-quinolylhydrazone; 吡啶-2-甲醛2-喹啉腙

Database IDs

• CAS Number: 7385-99-1
• EC Number: 230-967-6
• MDL Number: MFCD00014660
• Beilstein Number: 480209
• PubChem SID: 180681402
• PubChem CID: 6436860

CALCULATED PROPERTIES

• Acid pKa: 12.954265
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9883494
• LogD (pH = 7.4): 4.00288
• Log P: 4.0095954
• Molar Refractivity: 76.0724 cm^3
• Polarizability: 29.381649 Å^3
• Polar Surface Area: 50.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203-206°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98+%

REFERENCES

• Reagent for determination of Cd, Cu and Zn: Anal. Chim. Acta, 67, 465
• (1973).