HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504661Generated: October 31, 2026
4-chloro-1-(3-fluoro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
https://huagongshe.com/en/chemical/57504661
Identifiers & Physical Properties
| Molecular formula | C12H8ClFN4 |
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| Average molar mass | 262.67 g/mol |
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| Monoisotopic mass | 262.0421521 g/mol |
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| SMILES | Cc1c(F)cccc1-n1ncc2c(Cl)ncnc21 |
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| InChIKey | FFAIDHYYVZXLHC-UHFFFAOYSA-N |
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| PubChem CID | 57504661 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 43.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 306 |
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![4-chloro-1-(3-fluoro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine molecular structure](/img/chemical/57504661.png)