Basic information
- CAS
207565-03-5- Standard SMILES
[123I]c1cncc(OC[C@@H]2CCN2)c1- InChIKey
RKVRGRXOYDTUEY-GBVUCJOHSA-N- Molecular formula
- C9H11IN2O
- Average molar mass
- 286.1 g/mol
- Monoisotopic mass
- 285.99273
Names & identifiers
- Preferred name
- 5-(123I)Iodo-3-(2(S)-azetidinylmethoxy)pyridine
- IUPAC
- 3-[[(2S)-azetidin-2-yl]methoxy]-5-(123I)iodopyridine
Names & synonyms
UNII-94SNT429TT94SNT429TT123I-5-IA-853805-123I-A-853805-[123I]Iodo-A-853805-(123I)Iodo-3-(2(S)-azetidinylmethoxy)pyridine3-((2S)-2-Azetidinylmethoxy)-5-(iodo-123I)-pyridine3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine, I-123Pyridine, 3-((2S)-2-azetidinylmethoxy)-5-(iodo-123I)-(123I)5-IA-85380207565-03-5a-85380 5-i-123
Show more names
MOLI0000125-[123I]IA5IA-85350 I-1235-[123I]Iodo-3-[2(S)-2-azetidinylmethoxy]pyridineQ27271703
Database identifiers
- CAS
207565-03-5- PubChem CID
- 449642
- UNII
- 94SNT429TT
- Nikkaji
- J1.019.828C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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