5-chloro-2-hydrazinyl-3-iodopyridine

• ChemBase ID: 296400
• Molecular Formular: C5H5ClIN3
• Molecular Mass: 269.47077
• Monoisotopic Mass: 268.92167286
• SMILES: c1c(cnc(c1I)NN)Cl
• Canonical SMILES: NNc1ncc(cc1I)Cl
• InChI: InChI=1S/C5H5ClIN3/c6-3-1-4(7)5(10-8)9-2-3/h1-2H,8H2,(H,9,10)
• InChIKey: SMVJKHCZAOIBLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydrazinyl-3-iodopyridine
• IUPAC Traditional name: 5-chloro-2-hydrazinyl-3-iodopyridine
• Synonyms: (5-Chloro-3-iodo-2-pyridyl)hydrazine; 5-Chloro-2-hydrazino-3-iodopyridine; 5-氯-2-肼-3-溴化吡啶

Database IDs

• CAS Number: 942206-12-4
• MDL Number: MFCD09037446
• PubChem SID: 180681931
• PubChem CID: 42553001

CALCULATED PROPERTIES

• Acid pKa: 18.773436
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1964767
• LogD (pH = 7.4): 2.27358
• Log P: 2.2746627
• Molar Refractivity: 52.0886 cm^3
• Polarizability: 19.275335 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-138°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%