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

• ChemBase ID: 27260
• Molecular Formular: C15H12N4O
• Molecular Mass: 264.28198
• Monoisotopic Mass: 264.10111102
• SMILES: c1(cc(nc2c1cccc2)c1ncccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)c1ccccn1
• InChI: InChI=1S/C15H12N4O/c16-19-15(20)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H,16H2,(H,19,20)
• InChIKey: QHPOWUMRPBEPNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5109-96-6
• MDL Number: MFCD02090830
• PubChem SID: 160990567
• PubChem CID: 1991081

CALCULATED PROPERTIES

• Acid pKa: 14.616765
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8843504
• LogD (pH = 7.4): 1.8862938
• Log P: 1.8863187
• Molar Refractivity: 75.7771 cm^3
• Polarizability: 31.325817 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.635

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%