2-(pyridin-3-yl)quinoline-4-carbohydrazide

• ChemBase ID: 27259
• Molecular Formular: C15H12N4O
• Molecular Mass: 264.28198
• Monoisotopic Mass: 264.10111102
• SMILES: c1(cc(nc2c1cccc2)c1cnccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1cccnc1
• InChI: InChI=1S/C15H12N4O/c16-19-15(20)12-8-14(10-4-3-7-17-9-10)18-13-6-2-1-5-11(12)13/h1-9H,16H2,(H,19,20)
• InChIKey: ZENFAFLFPWVDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(pyridin-3-yl)quinoline-4-carbohydrazide
• Synonyms: 2-Pyridin-3-ylquinoline-4-carbohydrazide; 2-Pyridin-3-yl-quinoline-4-carboxylic acid hydrazide

Database IDs

• CAS Number: 5109-97-7
• MDL Number: MFCD01993675
• PubChem SID: 160990566
• PubChem CID: 3865562

CALCULATED PROPERTIES

• Acid pKa: 14.707432
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4763987
• LogD (pH = 7.4): 1.5001554
• Log P: 1.5004684
• Molar Refractivity: 76.1491 cm^3
• Polarizability: 31.320608 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 1.425

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%