6-chloroimidazo[1,2-a]pyrazine

• ChemBase ID: 66837
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: c12cnc(cn1ccn2)Cl
• Canonical SMILES: Clc1ncc2n(c1)ccn2
• InChI: InChI=1S/C6H4ClN3/c7-5-4-10-2-1-8-6(10)3-9-5/h1-4H
• InChIKey: PTWXEVLXAHFMKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyrazine
• Synonyms: 6-Chloroimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 76537-23-0
• MDL Number: MFCD09909644
• PubChem SID: 162032573
• PubChem CID: 12841572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.36027202
• LogD (pH = 7.4): 0.3660249
• Log P: 0.36609885
• Molar Refractivity: 39.6456 cm^3
• Polarizability: 14.382132 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%