2,6-dichloropyridine-4-carbohydrazide

• ChemBase ID: 86732
• Molecular Formular: C6H5Cl2N3O
• Molecular Mass: 206.0294
• Monoisotopic Mass: 204.98096716
• SMILES: n1c(cc(cc1Cl)C(=O)NN)Cl
• Canonical SMILES: NNC(=O)c1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C6H5Cl2N3O/c7-4-1-3(6(12)11-9)2-5(8)10-4/h1-2H,9H2,(H,11,12)
• InChIKey: QZTMHCLQBRFNOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyridine-4-carbohydrazide
• IUPAC Traditional name: 2,6-dichloropyridine-4-carbohydrazide
• Synonyms: 2,6-Dichloroisonicotinic acid hydrazide; 2,6-Dichloropyridine-4-carbohydrazide; 2,6-Dichloro-4-(hydrazinocarbonyl)pyridine; 2,6-Dichloroisonicotinohydrazide

Database IDs

• CAS Number: 57803-51-7
• MDL Number: MFCD01571354
• PubChem SID: 162073848
• PubChem CID: 42563

CALCULATED PROPERTIES

• Acid pKa: 12.892846
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9574451
• LogD (pH = 7.4): 0.9581712
• Log P: 0.9581817
• Molar Refractivity: 49.1958 cm^3
• Polarizability: 17.731112 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179-181°C

Safety Information

• Storage Warning: Harmful/Irritant