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

• ChemBase ID: 256196
• Molecular Formular: C9H14N4O2S
• Molecular Mass: 242.29806
• Monoisotopic Mass: 242.08374671
• SMILES: S(=O)(=O)(c1cnc(NN)cc1)N1CCCC1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CCCC1
• InChI: InChI=1S/C9H14N4O2S/c10-12-9-4-3-8(7-11-9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,10H2,(H,11,12)
• InChIKey: ONZTZWSDTQRHEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06307941
• PubChem SID: 164312106
• PubChem CID: 5268216

CALCULATED PROPERTIES

• Acid pKa: 18.848396
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.17463772
• LogD (pH = 7.4): 0.20051366
• Log P: 0.2008539
• Molar Refractivity: 63.4136 cm^3
• Polarizability: 23.96324 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 0.621

Product Information

• Purity: 95%