2-benzyl-3-iodo-6-[(3R,4S)-3-acetoxy-4-methoxypyrrolidin-1-yl]pyridine

HCID 69363045

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

Related reactions

3 records

Compound notes

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