Basic information
- Standard SMILES
CO[C@H]1CN(c2ccc(I)c(Cc3ccccc3)n2)C[C@H]1OC(C)=O- InChIKey
KNZIDKXJEJEBJE-ZWKOTPCHSA-N- Molecular formula
- C19H21IN2O3
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 452.05969
Names & identifiers
- Preferred name
- 2-benzyl-3-iodo-6-[(3R,4S)-3-acetoxy-4-methoxypyrrolidin-1-yl]pyridine
- IUPAC
- [(3R,4S)-1-(6-benzyl-5-iodo-2-pyridinyl)-4-methoxypyrrolidin-3-yl] acetate
Names & synonyms
SCHEMBL5229796KNZIDKXJEJEBJE-ZWKOTPCHSA-N2-benzyl-3-iodo-6-[(3R,4S)-3-acetoxy-4-methoxypyrrolidin-1-yl]pyridine2-Benzyl-3-iodo-6-[(3R,4S)-3-acetoxy-4-methoxypyrrolidin-1yl]pyridine2-benzyl-3-iodo-6-[(3r,4s)-3-acetoxy-4-methoxypyrrolidine-1-yl]pyridine
Database identifiers
- PubChem CID
- 69363045
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
3 records
Compound notes
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