Basic information
- Standard SMILES
Ic1cn(C2COC2)c2ncncc12- InChIKey
HEVSYFRQPYULFG-UHFFFAOYSA-N- Molecular formula
- C9H8IN3O
- Average molar mass
- 301.08 g/mol
Names & identifiers
- Preferred name
- 5-iodo-7-oxetan-3-yl-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 5-iodo-7-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL12985356HEVSYFRQPYULFG-UHFFFAOYSA-N5-iodo-7-oxetan-3-yl-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 70817633
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
1 records
Compound notes
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