methyl pyrazolo[1,5-a]pyridine-3-carboxylate

• ChemBase ID: 64798
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: c1ccn2c(c1)c(cn2)C(=O)OC
• Canonical SMILES: COC(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C9H8N2O2/c1-13-9(12)7-6-10-11-5-3-2-4-8(7)11/h2-6H,1H3
• InChIKey: VOBULDVRGTTWJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl pyrazolo[1,5-a]pyridine-3-carboxylate
• IUPAC Traditional name: methyl pyrazolo[1,5-a]pyridine-3-carboxylate
• Synonyms: methyl pyrazolo[1,5-a]pyridine-3-carboxylate; Pyrazolo[1,5-a]pyridine-3-carboxylic acid methyl ester

Database IDs

• CAS Number: 63237-84-3
• MDL Number: MFCD09752651
• PubChem SID: 162030537
• PubChem CID: 14642212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.506653
• LogD (pH = 7.4): 1.5066599
• Log P: 1.50666
• Molar Refractivity: 58.0032 cm^3
• Polarizability: 18.384064 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 1.621

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%