Basic information
- Standard SMILES
Fc1cc(N2CCc3c(Cl)ncnc32)c(F)cc1Br- InChIKey
HQGZHGJDTKQQAN-UHFFFAOYSA-N- Molecular formula
- C12H7BrClF2N3
- Average molar mass
- 346.56 g/mol
Names & identifiers
- Preferred name
- 7-(4-Bromo-2,5-difluorophenyl)-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidine
- IUPAC
- 7-(4-bromo-2,5-difluorophenyl)-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL4503148
Database identifiers
- PubChem CID
- 86637397
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
3 records
Compound notes
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