Basic information
- CAS
66695-20-3- Standard SMILES
Cc1cccc(C(=O)Nc2ccncc2)[n+]1[O-]- InChIKey
CRXUZKQKEMPDQR-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- 6-methyl-1-oxido-N-pyridin-4-ylpyridin-1-ium-2-carboxamide
- IUPAC
- 6-methyl-1-oxido-N-pyridin-4-ylpyridin-1-ium-2-carboxamide
- English name
- 2-Methyl-6-(4-pyridylcarbamoyl)pyridine 1-oxide
- Molecular weight
- 0
Names & synonyms
2-Methyl-6-(4-pyridylcarbamoyl)pyridine 1-oxide
Database identifiers
- CAS
66695-20-3- PubChem CID
- 12413368
- Nikkaji
- J150.588B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- CAS DataBase Reference
- 66695 · 66695-20-3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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