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Molecule record

4-nitropyridine-3-carboxylic acid

C6H4N2O4

168.11 g/mol

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Molecular properties

Formula
C6H4N2O4
Molar mass
168.11 g·mol−1
Exact mass
168.0171 Da
6
PubChem CID
2762931

Functional groups

Aromatic ring
Carboxylic acid
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 100367-58-6
  • 3-Pyridinecarboxylic acid, 4-nitro-
  • 3-Pyridinecarboxylicacid, 4-nitro-
  • 4-Nitronicotinic acid
  • 4-Nitronicotinicacid
  • 4-nitro-3-pyridinecarboxylic acid
  • AB18031
  • AKOS006293183
Show all 15 synonyms
  • DTXCID50327613
  • DTXSID50376585
  • GS-5053
  • MFCD04114250
  • RefChem:295086
  • SCHEMBL12274556
  • SCHEMBL6221966

Structure identifiers

Canonical SMILES
O=C(O)c1cnccc1[N+](=O)[O-]
Isomeric SMILES
C1=CN=CC(=C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H4N2O4/c9-6(10)4-3-7-2-1-5(4)8(11)12/h1-3H,(H,9,10)
InChIKey
HTXUFXWKAMQHDG-UHFFFAOYSA-N
PubChem CID
2762931

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-nitropyridine-3-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitropyridine-3-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record