3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine

Base Information

• Chemical Name: 3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
• CAS No.: 213550-82-4
• Molecular Formula: C9H11IN2O
• Molecular Weight: 290.10100
• UNII: POX639L40H
• DSSTox Substance ID: DTXSID40175620
• Nikkaji Number: J1.007.104F
• Wikidata: Q27181447
• Pharos Ligand ID: 9GWCLW28CA6B
• ChEMBL ID: CHEMBL123433
• Mol file: 213550-82-4.mol

Synonyms:(S)-5-(123I)iodo-3-(2-azetidinylmethoxy)pyridine;123I-5-iodo-3-(2(S)-2-azetidinylmethoxy)pyridine;123I-5IA-85380;5-(123I)-iodo-A-85380;5-I-A-85380;5-IA-85380;5-iodo-3-(2-azetidinylmethoxy)pyridine;5-iodo-A-85380

Chemical Property of 3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine

Chemical Property:

• PSA: 34.15000
• LogP: 1.75570
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 289.99161
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

5-Iodo-A-85380 dihydrochloride hydrate ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC1COC2=CC(=CN=C2)I
• Isomeric SMILES: C1CN[C@@H]1COC2=CC(=CN=C2)I

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