Basic information
- Standard SMILES
CCc1ccc(CCO)[n+]([O-])c1- InChIKey
OKGBUKOLAPLDOZ-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
Names & identifiers
- Preferred name
- 2-(5-Ethyl-1-oxidopyridin-1-ium-2-yl)ethanol
- IUPAC
- 2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethanol
Names & synonyms
2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethanol90643-32-65-ethyl-2-(2-hydroxyethyl)pyridin-1-ium-1-olate2-(5-ethyl-1-oxy-pyridin-2-yl)-ethanolSCHEMBL867863OKGBUKOLAPLDOZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66823399
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
6 records
Compound notes
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