imidazo[1,2-a]pyrazine-8-carboxylic acid

• ChemBase ID: 278178
• Molecular Formular: C7H5N3O2
• Molecular Mass: 163.1335
• Monoisotopic Mass: 163.03817642
• SMILES: c1(c2n(ccn2)ccn1)C(=O)O
• Canonical SMILES: OC(=O)c1nccn2c1ncc2
• InChI: InChI=1S/C7H5N3O2/c11-7(12)5-6-9-2-4-10(6)3-1-8-5/h1-4H,(H,11,12)
• InChIKey: WRLYIQAOCZDXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrazine-8-carboxylic acid
• IUPAC Traditional name: imidazo[1,2-a]pyrazine-8-carboxylic acid
• Synonyms: imidazo[1,2-a]pyrazine-8-carboxylic acid

Database IDs

• MDL Number: MFCD13189931
• PubChem SID: 164334088
• PubChem CID: 53626253

CALCULATED PROPERTIES

• Acid pKa: 1.9274782
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9423385
• LogD (pH = 7.4): -3.8969936
• Log P: -1.0466664
• Molar Refractivity: 40.6637 cm^3
• Polarizability: 14.835323 Å^3
• Polar Surface Area: 67.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 0.656

Product Information

• Purity: 95%