4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid

• ChemBase ID: 282523
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(c2n(nc1)CCCC2)C(=O)O
• Canonical SMILES: OC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h5H,1-4H2,(H,11,12)
• InChIKey: VOAKNFVZEGNOKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid
• IUPAC Traditional name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid
• Synonyms: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid; 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid

Database IDs

• CAS Number: 307307-97-7
• MDL Number: MFCD09056813
• PubChem SID: 180668054
• PubChem CID: 21941376

CALCULATED PROPERTIES

• Acid pKa: 3.4569688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2985011
• LogD (pH = 7.4): -2.640893
• Log P: 0.7518083
• Molar Refractivity: 54.7607 cm^3
• Polarizability: 16.013262 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.104

Product Information

• Purity: 95%