2,3-Dimethyl-4-(2,3,4-trimethoxyphenyl)-1lambda(5)-pyridin-1-ol
Basic information
- CAS
70159-58-9- Standard SMILES
COc1ccc(-c2cc[n+]([O-])c(C)c2C)c(OC)c1OC- InChIKey
TUVOKZCAYVQDGH-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- 2,3-Dimethyl-4-(2,3,4-trimethoxyphenyl)-1lambda(5)-pyridin-1-ol
- IUPAC
- 2,3-dimethyl-1-oxido-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium
Names & synonyms
70159-58-92,3-Dimethyl-4-(2,3,4-trimethoxyphenyl)-1lambda(5)-pyridin-1-olNSC 326626NSC326626NSC-3266262,3-dimethyl-1-oxido-4-(2,3,4-trimethoxyphenyl)pyridin-1-iumE4CK532RBQDTXSID70220430Pyridine, 2,3-dimethyl-4-(2,3,4-trimethoxyphenyl)-, 1-oxide2,3-Dimethyl-1-oxo-4-(2,3,4-trimethoxyphenyl)-1lambda~5~-pyridine2,3-Dimethyl-4-(2,3,4-trimethoxyphenyl)-1.lambda.~5~-pyridin-1-ol
Database identifiers
- CAS
70159-58-9- PubChem CID
- 494235
- DTXSID
DTXSID70220430- UNII
- E4CK532RBQ
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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