2-[(1Z)-2-phenylethanehydrazonoyl]pyridine

• ChemBase ID: 261098
• Molecular Formular: C13H13N3
• Molecular Mass: 211.26242
• Monoisotopic Mass: 211.11094743
• SMILES: C(=N\N)(\c1ncccc1)/Cc1ccccc1
• Canonical SMILES: N/N=C(\c1ccccn1)/Cc1ccccc1
• InChI: InChI=1S/C13H13N3/c14-16-13(12-8-4-5-9-15-12)10-11-6-2-1-3-7-11/h1-9H,10,14H2/b16-13-
• InChIKey: FHXCSTWRRKJPFT-SSZFMOIBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1Z)-2-phenylethanehydrazonoyl]pyridine
• IUPAC Traditional name: 2-[(1Z)-2-phenylethanehydrazonoyl]pyridine
• Synonyms: 2-(2-phenylethanehydrazonoyl)pyridine

Database IDs

• MDL Number: MFCD12197285
• PubChem SID: 164317008
• PubChem CID: 14768052

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2489903
• LogD (pH = 7.4): 2.2495892
• Log P: 2.2495968
• Molar Refractivity: 65.195 cm^3
• Polarizability: 24.880777 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.342

Product Information

• Purity: 95%