imidazo[1,2-a]pyridine-6-carboxylic acid

• ChemBase ID: 42238
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: c1(cn2c(ncc2)cc1)C(=O)O
• Canonical SMILES: OC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H6N2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5H,(H,11,12)
• InChIKey: ONOJJCTXSDBVSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-6-carboxylic acid
• IUPAC Traditional name: imidazo[1,2-a]pyridine-6-carboxylic acid
• Synonyms: Imidazo[1,2-a]pyridine-6-carboxylic acid; 6-Carboxyimidazo[1,2-a]pyridine; Imidazo[1,2-a]pyridine-6-carboxylic acid 97%; Imidazo[1,2-a]pyridine-6-carboxylic acid

Database IDs

• CAS Number: 139022-25-6
• MDL Number: MFCD07021498
• PubChem SID: 162047001
• PubChem CID: 7075376

CALCULATED PROPERTIES

• Acid pKa: 2.7528296
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9006678
• LogD (pH = 7.4): -1.5374498
• Log P: -0.8864775
• Molar Refractivity: 43.1926 cm^3
• Polarizability: 15.654752 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244-247°C; 250°C; 298 - 300°C; 305 - 310 °C; 305-310°C
• Hydrophobicity(logP): 1.381

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%; 97%