pyrazolo[1,5-a]pyridine-7-carbaldehyde

• ChemBase ID: 21460
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c12cccc(n1ncc2)C=O
• Canonical SMILES: O=Cc1cccc2n1ncc2
• InChI: InChI=1S/C8H6N2O/c11-6-8-3-1-2-7-4-5-9-10(7)8/h1-6H
• InChIKey: SGNBVQKSJWCGOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyridine-7-carbaldehyde
• IUPAC Traditional name: pyrazolo[1,5-a]pyridine-7-carbaldehyde
• Synonyms: Pyrazolo[1,5-a]pyridine-7-carboxaldehyde; Pyrazolo[1,5-a]pyridine-7-carbaldehyde; 吡唑[1,5-a]吡啶-7-甲醛

Database IDs

• CAS Number: 362661-83-4
• MDL Number: MFCD06739029
• PubChem SID: 160984767
• PubChem CID: 10866474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1356243
• LogD (pH = 7.4): 1.1356857
• Log P: 1.1356865
• Molar Refractivity: 52.4394 cm^3
• Polarizability: 15.847061 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-86°C; 84-85°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%