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

• ChemBase ID: 21461
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c12ccccn1ncc2C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3
• InChIKey: IDHMFSBXNNIWCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
• Synonyms: Pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester; Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate; ethyl pyrazolo[1,5-a]pyridine-3-carboxylate; Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate 95%; Pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester; 吡唑并[1,5-α]吡啶-3-甲酸乙酯

Database IDs

• CAS Number: 16205-44-0
• MDL Number: MFCD06411542
• PubChem SID: 160984768
• PubChem CID: 2795464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.863461
• LogD (pH = 7.4): 1.8634678
• Log P: 1.8634679
• Molar Refractivity: 62.7518 cm^3
• Polarizability: 20.22285 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-135°C/3mm; 134-135°C/2.3mm
• Density: 1.23
• Refractive Index: 1.5800

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false; 否

Product Information

• Purity: 95%