3,5-dichloro-4-hydrazinylpyridine

• ChemBase ID: 84295
• Molecular Formular: C5H5Cl2N3
• Molecular Mass: 178.0193
• Monoisotopic Mass: 176.98605254
• SMILES: n1cc(c(c(c1)Cl)NN)Cl
• Canonical SMILES: NNc1c(Cl)cncc1Cl
• InChI: InChI=1S/C5H5Cl2N3/c6-3-1-9-2-4(7)5(3)10-8/h1-2H,8H2,(H,9,10)
• InChIKey: IKQCIXCXRNHCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-hydrazinylpyridine
• IUPAC Traditional name: 3,5-dichloro-4-hydrazinylpyridine
• Synonyms: (3,5-Dichloropyrdin-4-yl)hydrazine; 3,5-Dichloro-4-hydrazinopyridine; 3,5-dichloro-4-hydrazinylpyridine

Database IDs

• CAS Number: 153708-69-1
• MDL Number: MFCD00174279
• PubChem SID: 162071411
• PubChem CID: 736957

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.296974
• LogD (pH = 7.4): 1.3545268
• Log P: 1.3553053
• Molar Refractivity: 43.2174 cm^3
• Polarizability: 15.87273 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 98%