6-chloropyrazine-2-carbonyl chloride

• ChemBase ID: 241944
• Molecular Formular: C5H2Cl2N2O
• Molecular Mass: 176.98818
• Monoisotopic Mass: 175.95441805
• SMILES: c1(nc(Cl)cnc1)C(=O)Cl
• Canonical SMILES: Clc1cncc(n1)C(=O)Cl
• InChI: InChI=1S/C5H2Cl2N2O/c6-4-2-8-1-3(9-4)5(7)10/h1-2H
• InChIKey: UHYKRNKLQNXGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyrazine-2-carbonyl chloride
• IUPAC Traditional name: 6-chloropyrazine-2-carbonyl chloride
• Synonyms: 6-chloropyrazine-2-carbonyl chloride

Database IDs

• MDL Number: MFCD13173933
• PubChem SID: 164297854
• PubChem CID: 15149671

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9388857
• LogD (pH = 7.4): 0.9388857
• Log P: 0.9388857
• Molar Refractivity: 38.353 cm^3
• Polarizability: 14.449691 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.137

Product Information

• Purity: 95%