Basic information
- Standard SMILES
CCOCOc1nc(Cl)cc(I)c1CO- InChIKey
ATCNMLCGUPWHJE-UHFFFAOYSA-N- Molecular formula
- C9H11ClINO3
- Average molar mass
- 343.54 g/mol
- Monoisotopic mass
- 342.94722
Names & identifiers
- Preferred name
- 6-Chloro-4-iodo-2-(ethoxymethoxy)-3-hydroxymethylpyridine
- IUPAC
- [6-chloro-2-(ethoxymethoxy)-4-iodo-3-pyridinyl]methanol
Names & synonyms
SCHEMBL9064813ATCNMLCGUPWHJE-UHFFFAOYSA-N6-chloro-4-iodo-2-(ethoxymethoxy)-3-hydroxymethylpyridine
Database identifiers
- PubChem CID
- 11046161
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Related reactions
2 records
Compound notes
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