4-Nitropyridine-2-carboxylic acid 1-oxide
Basic information
- CAS
14933-78-9- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])cc[n+]1[O-]- InChIKey
KKYQRQZYRFVFTG-UHFFFAOYSA-N- Molecular formula
- C6H4N2O5
- Average molar mass
- 184.11 g/mol
- Monoisotopic mass
- 184.01202123
Names & identifiers
- Preferred name
- 4-Nitropyridine-2-carboxylic acid 1-oxide
- IUPAC
- 4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid
- English name
- 4-Nitropyridine-2-carboxylic acid 1-oxide
- Molecular formula
- C6H4N2O5
- Molecular weight
- 184.11
Names & synonyms
14933-78-94-Nitropyridine-2-carboxylic acid 1-oxide2-Carboxy-4-nitropyridine 1-oxide4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid2-Carboxy-4-nitropyridine1-oxide2-Pyridinecarboxylic acid, 4-nitro-, 1-oxide2-Carboxylic Acid-4-Nitropyridine-1-OxideNCIOpen2_0002172-Pyridinecarboxylicacid, 4-nitro-, 1-oxide4-Nitropicolinic acid-N-oxideSCHEMBL8539941DTXSID10164223
Show more names
4-Nitropicolinic acid 1-oxide4-Nitro-2-pyridinecarboxylic acid 1-oxide4-nitro-2-Pyridine carbocylic acid 1-oxide4-NNITROPYRIDINE-2-CARBOXYLIC ACID 1-OXIDE4-nitro-1-oxidopyridin-1-ium-2-carboxylicaci
KKYQRQZYRFVFTG-UHFFFAOYSA-N2-carboxy-4-nitropyridine N-oxideNSC63059NSC-63059SBB019242AKOS006306698DB-0637961-hydroxy-4-nitropyridine-2-carboxylic acid
Database identifiers
- CAS
14933-78-9- PubChem CID
- 84713
- DTXSID
DTXSID10164223- EC Number
- 239-008-6
- Nikkaji
- J241.351E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 553.6 · 553.6±35.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 1 · 1.00±0.50(Predicted)
- FDA UNII
- 566 VY7AG · ZQ566VY7AG
Related reactions
1 records
Compound notes
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