5-chloroimidazo[1,2-a]pyrazine hydrochloride

• ChemBase ID: 246234
• Molecular Formular: C6H5Cl2N3
• Molecular Mass: 190.03
• Monoisotopic Mass: 188.98605254
• SMILES: n12c(cncc1ncc2)Cl.Cl
• Canonical SMILES: Clc1cncc2n1ccn2.Cl
• InChI: InChI=1S/C6H4ClN3.ClH/c7-5-3-8-4-6-9-1-2-10(5)6;/h1-4H;1H
• InChIKey: SQTVOOWYYAFFON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloroimidazo[1,2-a]pyrazine hydrochloride
• IUPAC Traditional name: 5-chloroimidazo[1,2-a]pyrazine hydrochloride
• Synonyms: 5-chloroimidazo[1,2-a]pyrazine hydrochloride

Database IDs

• MDL Number: MFCD23144260
• PubChem SID: 164302144
• PubChem CID: 71757923

CALCULATED PROPERTIES

• Log P: -0.13906766
• Molar Refractivity: 38.5854 cm^3
• Polarizability: 14.360373 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.14222385
• LogD (pH = 7.4): -0.13910757

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): 1.021

Product Information

• Purity: 95%