3-chloro-2-hydrazinylpyridine

• ChemBase ID: 42299
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(ncccc1Cl)NN
• Canonical SMILES: NNc1ncccc1Cl
• InChI: InChI=1S/C5H6ClN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
• InChIKey: XAYCTBDPZIKHCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-hydrazinylpyridine
• IUPAC Traditional name: 3-chloro-2-hydrazinylpyridine
• Synonyms: 3-Chloro-2-hydrazinopyridine; (3-Chloropyridin-2-yl)hydrazine; 3-Chloro-2-hydrazinopyridine 98%; 3-chloro-2-hydrazinylpyridine; (3-CHLORO-PYRIDIN-2-YL)-HYDRAZINE

Database IDs

• CAS Number: 22841-92-5
• MDL Number: MFCD01936479
• PubChem SID: 162047062
• PubChem CID: 556100

CALCULATED PROPERTIES

• Acid pKa: 18.45993
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.31946474
• LogD (pH = 7.4): 1.2748687
• Log P: 1.3457183
• Molar Refractivity: 38.7261 cm^3
• Polarizability: 13.909206 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C; 165 - 167 °C; 165-167°C
• Hydrophobicity(logP): 1.482

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%