N'-(6-chloropyridin-2-yl)carbohydrazide

• ChemBase ID: 64791
• Molecular Formular: C6H6ClN3O
• Molecular Mass: 171.58434
• Monoisotopic Mass: 171.01993951
• SMILES: c1c(nc(cc1)NNC=O)Cl
• Canonical SMILES: Clc1cccc(n1)NNC=O
• InChI: InChI=1S/C6H6ClN3O/c7-5-2-1-3-6(9-5)10-8-4-11/h1-4H,(H,8,11)(H,9,10)
• InChIKey: WYTWCUFAJMZIPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(6-chloropyridin-2-yl)carbohydrazide
• IUPAC Traditional name: N'-(6-chloropyridin-2-yl)carbohydrazide
• Synonyms: (N-Formyl-N'-(6-chloropyrid-2yl)hydrazine)

Database IDs

• CAS Number: 66999-50-6
• MDL Number: MFCD11706996
• PubChem SID: 162030530
• PubChem CID: 324433

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2242068
• LogD (pH = 7.4): 1.2242157
• Log P: 1.224223
• Molar Refractivity: 43.6787 cm^3
• Polarizability: 15.637818 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 12.134218

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%