Basic information
- Standard SMILES
COC(=O)c1ccc[n+]([O-])c1C- InChIKey
YKLAQTMNDXRXIR-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- Methyl 2-methylnicotinate 1-oxide
- IUPAC
- methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate
Names & synonyms
SCHEMBL1247973SCHEMBL31536078methyl 2-methylnicotinate 1-oxideYKLAQTMNDXRXIR-UHFFFAOYSA-NDB-1929633-(Methoxycarbonyl)-2-methylpyridine 1-oxide3-(methoxycarbonyl)-2-methylpyridine-1-oxideMethyl 2-methylpyridine-3-carboxylate 1-oxide2-Methyl-3-pyridinecarboxylic acid methyl ester, 1-oxide1033809-42-5
Database identifiers
- PubChem CID
- 20163965
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Related reactions
9 records
Linked notes
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