pyrazolo[1,5-a]pyridine-3-carbonyl chloride

• ChemBase ID: 77197
• Molecular Formular: C8H5ClN2O
• Molecular Mass: 180.5911
• Monoisotopic Mass: 180.00904047
• SMILES: n1cc(c2n1cccc2)C(=O)Cl
• Canonical SMILES: ClC(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C8H5ClN2O/c9-8(12)6-5-10-11-4-2-1-3-7(6)11/h1-5H
• InChIKey: OBAHAHYHAQTEHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyridine-3-carbonyl chloride
• IUPAC Traditional name: pyrazolo[1,5-a]pyridine-3-carbonyl chloride
• Synonyms: 3-(Chlorocarbonyl)pyrazolo[1,5-a]pyridine; Pyrazolo[1,5-a]pyridine-3-carbonyl chloride 95%; pyrazolo[1,5-a]pyridine-3-carbonyl chloride

Database IDs

• CAS Number: 78933-24-1
• MDL Number: MFCD06200860
• PubChem SID: 162042070
• PubChem CID: 2795463

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.694086
• LogD (pH = 7.4): 1.6940954
• Log P: 1.6940955
• Molar Refractivity: 57.0926 cm^3
• Polarizability: 17.723644 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115.7-118.3°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%