2-hydrazinyl-5-(piperidine-1-sulfonyl)pyridine

• ChemBase ID: 234808
• Molecular Formular: C10H16N4O2S
• Molecular Mass: 256.32464
• Monoisotopic Mass: 256.09939677
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)N1CCCCC1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C10H16N4O2S/c11-13-10-5-4-9(8-12-10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,11H2,(H,12,13)
• InChIKey: HJXKJGDGWPGQCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-5-(piperidine-1-sulfonyl)pyridine
• IUPAC Traditional name: 2-hydrazinyl-5-(piperidine-1-sulfonyl)pyridine
• Synonyms: 2-hydrazino-5-(piperidin-1-ylsulfonyl)pyridine

Database IDs

• MDL Number: MFCD06307781
• PubChem SID: 164290718
• PubChem CID: 2120283

CALCULATED PROPERTIES

• Acid pKa: 18.848396
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.61920637
• LogD (pH = 7.4): 0.6450823
• Log P: 0.6454226
• Molar Refractivity: 68.0146 cm^3
• Polarizability: 25.793066 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 1.362

Product Information

• Purity: 95%