methyl 6-chloronicotinate N-oxide
Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)[n+]([O-])c1- InChIKey
LGFJPMKMBADHJV-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO3
- Average molar mass
- 187.58 g/mol
Names & identifiers
- Preferred name
- methyl 6-chloronicotinate N-oxide
- IUPAC
- methyl 6-chloro-1-oxidopyridin-1-ium-3-carboxylate
Names & synonyms
SCHEMBL3163274LGFJPMKMBADHJV-UHFFFAOYSA-Nmethyl 6-chloronicotinate N-oxide2-chloro-5-(methoxycarbonyl)pyridine 1-oxide
Database identifiers
- PubChem CID
- 21885872
- Nikkaji
- J3.163.036C
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 176
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Related reactions
8 records
Compound notes
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