4-amino-3,5,6-trichloropyridine-2-carbohydrazide

• ChemBase ID: 230857
• Molecular Formular: C6H5Cl3N4O
• Molecular Mass: 255.4891
• Monoisotopic Mass: 253.95289384
• SMILES: c1(nc(c(c(c1Cl)N)Cl)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
• InChI: InChI=1S/C6H5Cl3N4O/c7-1-3(10)2(8)5(9)12-4(1)6(14)13-11/h11H2,(H2,10,12)(H,13,14)
• InChIKey: WTTWCEILJTYVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3,5,6-trichloropyridine-2-carbohydrazide
• IUPAC Traditional name: 4-amino-3,5,6-trichloropyridine-2-carbohydrazide
• Synonyms: 4-amino-3,5,6-trichloropyridine-2-carbohydrazide

Database IDs

• PubChem SID: 164286767
• PubChem CID: 2322794

CALCULATED PROPERTIES

• Acid pKa: 12.56851
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.898452
• LogD (pH = 7.4): 0.89896435
• Log P: 0.8989736
• Molar Refractivity: 57.2677 cm^3
• Polarizability: 20.906157 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.666

Product Information

• Purity: 95%