Basic information
- Standard SMILES
Clc1cc(N2CC3CCC(C2)O3)nc(I)n1- InChIKey
PSMWRQNFDHZJBC-UHFFFAOYSA-N- Molecular formula
- C10H11ClIN3O
- Average molar mass
- 351.57 g/mol
Names & identifiers
- Preferred name
- 3-(6-Chloro-2-iodo-pyrimidin-4-yl)-8-oxa-3-aza-bicyclo[3.2.1]octane
- IUPAC
- 3-(6-chloro-2-iodopyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
Names & synonyms
SCHEMBL628524PSMWRQNFDHZJBC-UHFFFAOYSA-N3-(6-Chloro-2-iodo-pyrimidin-4-yl)-8-oxa-3-aza-bicyclo[3.2.1]octane
Database identifiers
- PubChem CID
- 86665883
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Related reactions
2 records
Compound notes
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