methyl pyrazolo[1,5-a]pyridine-2-carboxylate

• ChemBase ID: 64432
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: c1(nn2c(c1)cccc2)C(=O)OC
• Canonical SMILES: COC(=O)c1cc2n(n1)cccc2
• InChI: InChI=1S/C9H8N2O2/c1-13-9(12)8-6-7-4-2-3-5-11(7)10-8/h2-6H,1H3
• InChIKey: COIDYSXDRKQDJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl pyrazolo[1,5-a]pyridine-2-carboxylate
• IUPAC Traditional name: methyl pyrazolo[1,5-a]pyridine-2-carboxylate
• Synonyms: Pyrazolo[1,5-a]pyridine-2-carboxylic acid methyl ester

Database IDs

• CAS Number: 151831-21-9
• MDL Number: MFCD07367039
• PubChem SID: 162030171
• PubChem CID: 37818522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.69251
• LogD (pH = 7.4): 1.6925102
• Log P: 1.6925102
• Molar Refractivity: 57.6312 cm^3
• Polarizability: 18.38544 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%