Basic information
- CAS
177785-13-6- Standard SMILES
Cc1c(C(=O)O)ccc[n+]1[O-]- InChIKey
QKKZCIBRTCZSHE-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Names & identifiers
- Preferred name
- 2-Methyl-1-oxo-1lambda~5~-pyridine-3-carboxylic acid
- IUPAC
- 2-methyl-1-oxidopyridin-1-ium-3-carboxylic acid
- English name
- 3-Pyridinecarboxylicacid,2-methyl-,1-oxide(9CI)
- Molecular formula
- C7H7NO3
- Molecular weight
- 0
Names & synonyms
177785-13-62-Methyl-1-oxo-1lambda~5~-pyridine-3-carboxylic acid2-Methyl-1-oxidopyridin-1-ium-3-carboxylic acid2-methylnicotinic acid-1-oxideSCHEMBL8536765DTXSID40597888QKKZCIBRTCZSHE-UHFFFAOYSA-N3-Pyridinecarboxylicacid,2-methyl-,1-oxide(9CI)
Database identifiers
- CAS
177785-13-6- PubChem CID
- 19081203
- DTXSID
DTXSID40597888
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
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