pyrazolo[1,5-a]pyridine-3-carboxylic acid

• ChemBase ID: 101145
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: c1(c2n(nc1)cccc2)C(=O)O
• Canonical SMILES: OC(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C8H6N2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h1-5H,(H,11,12)
• InChIKey: HRSDPDBQVZHCRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyridine-3-carboxylic acid
• IUPAC Traditional name: pyrazolo[1,5-a]pyridine-3-carboxylic acid
• Synonyms: pyrazolo[1,5-a]pyridine-3-carboxylic acid

Database IDs

• CAS Number: 16205-46-2
• MDL Number: MFCD00229214
• PubChem SID: 162087034
• PubChem CID: 2795462

CALCULATED PROPERTIES

• Acid pKa: 3.3976638
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9344076
• LogD (pH = 7.4): -2.2441344
• Log P: 1.1607659
• Molar Refractivity: 53.2341 cm^3
• Polarizability: 16.299267 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.206
• Hydrophobicity(logP): 1.488

Product Information

• Purity: 95%; 95+%; 97%