3,5-dichloro-2-hydrazinylpyridine

• ChemBase ID: 231270
• Molecular Formular: C5H5Cl2N3
• Molecular Mass: 178.0193
• Monoisotopic Mass: 176.98605254
• SMILES: c1(ncc(cc1Cl)Cl)NN
• Canonical SMILES: NNc1ncc(cc1Cl)Cl
• InChI: InChI=1S/C5H5Cl2N3/c6-3-1-4(7)5(10-8)9-2-3/h1-2H,8H2,(H,9,10)
• InChIKey: ZHHZCBPODAZZOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2-hydrazinylpyridine
• IUPAC Traditional name: 3,5-dichloro-2-hydrazinylpyridine
• Synonyms: (3,5-Dichloro-pyridin-2-yl)-hydrazine

Database IDs

• CAS Number: 104408-23-3
• MDL Number: MFCD00778334
• PubChem SID: 164287180
• PubChem CID: 600966

CALCULATED PROPERTIES

• Acid pKa: 18.293491
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8915426
• LogD (pH = 7.4): 1.9489355
• Log P: 1.949763
• Molar Refractivity: 43.5309 cm^3
• Polarizability: 15.859967 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 2.343

Product Information

• Purity: 95%