7-(4-Fluorobenzyl)-4-chloro-7H-pyrrolo[2,3-D]pyrimidine
Basic information
- CAS
1380310-99-5- Standard SMILES
Fc1ccc(Cn2ccc3c(Cl)ncnc32)cc1- InChIKey
ZSDCJBKSWNJZPV-UHFFFAOYSA-N- Molecular formula
- C13H9ClFN3
- Average molar mass
- 261.68 g/mol
- Monoisotopic mass
- 261.0469032
Names & identifiers
- Preferred name
- 7-(4-Fluorobenzyl)-4-chloro-7H-pyrrolo[2,3-D]pyrimidine
- IUPAC
- 4-chloro-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine
Names & synonyms
1380310-99-57-(4-FLUOROBENZYL)-4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE4-Chloro-7-(4-fluorobenzyl)-7H-pyrrolo[2,3-d]pyrimidineMFCD099094014-chloro-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidineSCHEMBL29246282SCHEMBL30910343DTXSID101174877AB3762AKOS027251672AS-44733F334129
Show more names
4-Chloro-7-[(4-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- CAS
1380310-99-5- PubChem CID
- 71744153
- DTXSID
DTXSID101174877
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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