pyrazolo[1,5-a]pyridine-2-carboxylic acid

• ChemBase ID: 77142
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: n12ccccc1cc(n2)C(=O)O
• Canonical SMILES: OC(=O)c1cc2n(n1)cccc2
• InChI: InChI=1S/C8H6N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h1-5H,(H,11,12)
• InChIKey: AYGNAOBAPQNTIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: pyrazolo[1,5-a]pyridine-2-carboxylic acid
• Synonyms: pyrazolo[1,5-a]pyridine-2-carboxylic acid; 2-Carboxypyrazolo[1,5-a]pyridine; Pyrazolo[1,5-a]pyridine-2-carboxylic acid 97+%

Database IDs

• CAS Number: 63237-88-7
• MDL Number: MFCD06739057
• PubChem SID: 162042016
• PubChem CID: 7127820

CALCULATED PROPERTIES

• Acid pKa: 3.160761
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7682603
• LogD (pH = 7.4): -1.9056178
• Log P: 1.5466162
• Molar Refractivity: 52.8621 cm^3
• Polarizability: 16.300625 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191-193°C

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95+%; 97%