4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

• ChemBase ID: 53073
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C1Cn2c(CC1)cc(n2)C(=O)O
• Canonical SMILES: OC(=O)c1cc2n(n1)CCCC2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2,(H,11,12)
• InChIKey: GWQKXBKREDPLAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
• Synonyms: 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

Database IDs

• CAS Number: 307313-03-7
• MDL Number: MFCD09056814
• PubChem SID: 162057836
• PubChem CID: 21941460

CALCULATED PROPERTIES

• Acid pKa: 3.1749094
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1655725
• LogD (pH = 7.4): -2.3125215
• Log P: 1.1376586
• Molar Refractivity: 54.3887 cm^3
• Polarizability: 16.018091 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%