2-Methoxy-3,5,6-trimethylpyridine 1-oxide
Basic information
- CAS
1424857-66-8- Standard SMILES
COc1c(C)cc(C)c(C)[n+]1[O-]- InChIKey
RUJPTHIGNGANLB-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- 2-Methoxy-3,5,6-trimethylpyridine 1-oxide
- IUPAC
- 2-methoxy-3,5,6-trimethyl-1-oxidopyridin-1-ium
- English name
- 2,3,5-trimethyl-6-methoxy-1-oxidopyridin-1-ium
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.20502
Names & synonyms
1424857-66-82-Methoxy-3,5,6-trimethylpyridine 1-oxide2-methoxy-3,5,6-trimethyl-1-oxidopyridin-1-iumEsomeprazole Impurity 542-Methoxy-3,5,6-trimethylpyridine1-oxideH629532,3,5-TRIMETHYL-6-METHOXY-1-OXIDOPYRIDIN-1-IUMEsomeprazole Impurity 552,3,5-trimethyl-6-methoxypyridine 1-oxide
Database identifiers
- CAS
1424857-66-8- PubChem CID
- 70702454
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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