Basic information
- Standard SMILES
C[C@@H](CO)n1ccc2c(Cl)ncnc21- InChIKey
NNNFIHXWHLILMV-LURJTMIESA-N- Molecular formula
- C9H10ClN3O
- Average molar mass
- 211.65 g/mol
Names & identifiers
- Preferred name
- (2S)-2-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propan-1-ol
- IUPAC
- (2S)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)propan-1-ol
Names & synonyms
SCHEMBL12985353NNNFIHXWHLILMV-LURJTMIESA-N(2S)-2-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propan-1-ol
Database identifiers
- PubChem CID
- 86672075
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Related reactions
1 records
Compound notes
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