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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504694Generated: October 25, 2026

3-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylbenzonitrile

https://huagongshe.com/en/chemical/57504694

3-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylbenzonitrile molecular structure

Identifiers & Physical Properties

Molecular formulaC13H8ClN5
Average molar mass269.69 g/mol
SMILESCc1c(C#N)cccc1-n1ncc2c(Cl)ncnc21
InChIKeyJRUZNSKBHNZASO-UHFFFAOYSA-N
PubChem CID57504694

Chemical & Physical Properties

XLogP2.9
Topological polar surface area67.4
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds1
Heavy atoms19
Formal charge0
Complexity380
3-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylbenzonitrile｜Huagongshe