4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carbaldehyde

• ChemBase ID: 53079
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C1Cn2c(CC1)cc(n2)C=O
• Canonical SMILES: O=Cc1cc2n(n1)CCCC2
• InChI: InChI=1S/C8H10N2O/c11-6-7-5-8-3-1-2-4-10(8)9-7/h5-6H,1-4H2
• InChIKey: XCQQWVWOKJBFCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carbaldehyde
• IUPAC Traditional name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carbaldehyde
• Synonyms: 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde

Database IDs

• CAS Number: 307313-06-0
• MDL Number: MFCD09056815
• PubChem SID: 162057842
• PubChem CID: 11845421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4812658
• LogD (pH = 7.4): 1.4812708
• Log P: 1.4812708
• Molar Refractivity: 53.7033 cm^3
• Polarizability: 15.531317 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%