2,3-dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

• ChemBase ID: 77277
• Molecular Formular: C11H10N2O4
• Molecular Mass: 234.2081
• Monoisotopic Mass: 234.06405681
• SMILES: n1c(c(c2n1cccc2)C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)c1nn2c(c1C(=O)OC)cccc2
• InChI: InChI=1S/C11H10N2O4/c1-16-10(14)8-7-5-3-4-6-13(7)12-9(8)11(15)17-2/h3-6H,1-2H3
• InChIKey: NZJIUQJPKXRRHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
• IUPAC Traditional name: 2,3-dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
• Synonyms: Dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

Database IDs

• CAS Number: 5825-71-8
• MDL Number: MFCD06411548
• PubChem SID: 162042150
• PubChem CID: 2794621

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6959872
• LogD (pH = 7.4): 1.6959872
• Log P: 1.6959872
• Molar Refractivity: 69.6565 cm^3
• Polarizability: 22.87148 Å^3
• Polar Surface Area: 69.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-67°C
• Boiling Point: 174-178°C/0.23mm

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%