imidazo[1,2-b]pyridazine-3-carboxylic acid

• ChemBase ID: 309498
• Molecular Formular: C7H5N3O2
• Molecular Mass: 163.1335
• Monoisotopic Mass: 163.03817642
• SMILES: c1(n2c(nc1)cccn2)C(=O)O
• Canonical SMILES: OC(=O)c1cnc2n1nccc2
• InChI: InChI=1S/C7H5N3O2/c11-7(12)5-4-8-6-2-1-3-9-10(5)6/h1-4H,(H,11,12)
• InChIKey: SGRMUAZFOWNSGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-b]pyridazine-3-carboxylic acid
• IUPAC Traditional name: imidazo[1,2-b]pyridazine-3-carboxylic acid
• Synonyms: imidazo[1,2-b]pyridazine-3-carboxylic acid

Database IDs

• MDL Number: MFCD18917066

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6694443
• LogD (pH = 7.4): -3.1141064
• Log P: 0.23055665
• Molar Refractivity: 50.9073 cm^3
• Polarizability: 14.824552 Å^3
• Polar Surface Area: 67.49 Å^2