2-Ethynyl-5-methylpyridine 1-oxide
Basic information
- CAS
499187-53-0- Standard SMILES
C#Cc1ccc(C)c[n+]1[O-]- InChIKey
QHKMSCJGDWVNQX-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276385
Names & identifiers
- Preferred name
- 2-Ethynyl-5-methylpyridine 1-oxide
- IUPAC
- 2-ethynyl-5-methyl-1-oxidopyridin-1-ium
- English name
- Pyridine, 2-ethynyl-5-methyl-, 1-oxide (9CI)
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
2-ETHYNYL-5-METHYLPYRIDINE 1-OXIDE499187-53-0DTXSID40357045RefChem:260758DTXCID503081042-ethynyl-5-methyl-1-oxidopyridin-1-ium2-Ethynyl-5-Methylpyridine1-oxideAKOS0062731032-Ethynyl-5-methyl-1-oxo-1lambda~5~-pyridinePyridine, 2-ethynyl-5-methyl-, 1-oxide2-ethynyl-5-Methyl-1$l^{5}-pyridin-1-onePyridine, 2-ethynyl-5-methyl-, 1-oxide (9CI)
Database identifiers
- CAS
499187-53-0- PubChem CID
- 840955
- DTXSID
DTXSID40357045
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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