Basic information
- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CC(Oc2ccc(I)cn2)C1- InChIKey
KJTONRFPKXUHEU-UHFFFAOYSA-N- Molecular formula
- C15H12IN3O5
- Average molar mass
- 441.18 g/mol
Names & identifiers
- Preferred name
- 3-(5-Iodo-pyridin-2-yloxy)-azetidine-1-carboxylic acid 4-nitro-phenyl ester
- IUPAC
- (4-nitrophenyl) 3-[(5-iodo-2-pyridinyl)oxy]azetidine-1-carboxylate
Names & synonyms
SCHEMBL518160KJTONRFPKXUHEU-UHFFFAOYSA-N3-(5-Iodo-pyridin-2-yloxy)-azetidine-1-carboxylic acid 4-nitro-phenyl ester
Database identifiers
- PubChem CID
- 58073096
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
9 records
Linked notes
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