Isoxazolo[4,5-b]pyridine, 5-ethyl-3-methyl-, 4-oxide
Basic information
- CAS
144265-70-3- Standard SMILES
CCc1ccc2onc(C)c2[n+]1[O-]- InChIKey
NQKJISYAAKIUGS-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- Isoxazolo[4,5-b]pyridine, 5-ethyl-3-methyl-, 4-oxide
- IUPAC
- 5-ethyl-3-methyl-4-oxido-[1,2]oxazolo[4,5-b]pyridin-4-ium
Names & synonyms
144265-70-3Isoxazolo[4,5-b]pyridine, 5-ethyl-3-methyl-, 4-oxideDTXSID104352435-Ethyl-3-methyl-4-oxo-4lambda~5~-[1,2]oxazolo[4,5-b]pyridine
Database identifiers
- CAS
144265-70-3- PubChem CID
- 10080943
- DTXSID
DTXSID10435243
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…