pyrazolo[1,5-a]pyridine-3-carbaldehyde

• ChemBase ID: 270899
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n12c(c(cn1)C=O)cccc2
• Canonical SMILES: O=Cc1cnn2c1cccc2
• InChI: InChI=1S/C8H6N2O/c11-6-7-5-9-10-4-2-1-3-8(7)10/h1-6H
• InChIKey: KBJMYBSEFSJJNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: pyrazolo[1,5-a]pyridine-3-carbaldehyde
• Synonyms: pyrazolo[1,5-a]pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD06739035
• PubChem SID: 164326809
• PubChem CID: 14145801

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2156682
• LogD (pH = 7.4): 1.2156851
• Log P: 1.2156854
• Molar Refractivity: 52.5619 cm^3
• Polarizability: 15.849306 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 1.225

Product Information

• Purity: 95%