Basic information
- Standard SMILES
Cc1c(F)cccc1-n1ncc2c(Cl)ncnc21- InChIKey
FFAIDHYYVZXLHC-UHFFFAOYSA-N- Molecular formula
- C12H8ClFN4
- Average molar mass
- 262.67 g/mol
- Monoisotopic mass
- 262.0421521
Names & identifiers
- Preferred name
- 4-chloro-1-(3-fluoro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4-chloro-1-(3-fluoro-2-methylphenyl)pyrazolo[5,4-d]pyrimidine
Names & synonyms
SCHEMBL838678FFAIDHYYVZXLHC-UHFFFAOYSA-N4-chloro-1-(3-fluoro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 57504661
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
2 records
Compound notes
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