5-chloropyrazine-2-carbohydrazide

• ChemBase ID: 67867
• Molecular Formular: C5H5ClN4O
• Molecular Mass: 172.5724
• Monoisotopic Mass: 172.01518848
• SMILES: c1(cnc(cn1)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnc(cn1)Cl
• InChI: InChI=1S/C5H5ClN4O/c6-4-2-8-3(1-9-4)5(11)10-7/h1-2H,7H2,(H,10,11)
• InChIKey: IBDISQAOUDHXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyrazine-2-carbohydrazide
• IUPAC Traditional name: 5-chloropyrazine-2-carbohydrazide
• Synonyms: 5-Chloropyrazine-2-carboxylic acid hydrazide

Database IDs

• CAS Number: 848952-83-0
• MDL Number: MFCD12964049
• PubChem SID: 162033602
• PubChem CID: 45789797

CALCULATED PROPERTIES

• Acid pKa: 13.0054455
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.69838107
• LogD (pH = 7.4): -0.6978698
• Log P: -0.69786227
• Molar Refractivity: 40.8008 cm^3
• Polarizability: 14.90983 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%