3-methyl-5-nitropyridine-2-carboxylic acid (CED0206584)

Record Information

Version

1.0

Creation Date

2026-08-24 05:51:35 UTC

Update Date

2026-08-24 05:51:35 UTC

SynCED ID

CED0206584

Secondary Accession Numbers

CHEM244556

Identification

Common Name

3-methyl-5-nitropyridine-2-carboxylic acid

Class

Small Molecule

Description

3-methyl-5-nitropyridine-2-carboxylic acid is a chemical compound with the formula C7H6N2O4. It has an average molecular weight of 182.13 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₆N₂O₄

Average Molecular Mass

182.130 g/mol

Monoisotopic Mass

182.033 g/mol

CAS Registry Number

1211578-56-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H6N2O4/c1-4-2-5(9(12)13)3-8-6(4)7(10)11/h2-3H,1H3,(H,10,11)

InChI Key

JJDGXHPKVXOWHN-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2071.0 Log mg/kg [1200:3700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Krueppel-like factor 10	Q13118	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 9.30e-04 Supporting Reference Compounds 1 E-value 7.23998
Click to view 3D structure	Cytosolic carboxypeptidase 2	Q5U5Z8	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.295 Low confidence Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.304 Statistical Significance 0.0167 Supporting Reference Compounds 205 E-value 130.32
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.326 Statistical Significance 0.0115 Supporting Reference Compounds 57 E-value 89.6045
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.326 Statistical Significance 0.0093 Supporting Reference Compounds 40 E-value 72.5555
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.306 Statistical Significance 0.0466 Supporting Reference Compounds 425 E-value 362.777
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.275 Low confidence Statistical Significance 7.80e-04 Supporting Reference Compounds 1 E-value 6.07224
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.286 Low confidence Statistical Significance 0.0251 Supporting Reference Compounds 166 E-value 195.791
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.304 Statistical Significance 0.0453 Supporting Reference Compounds 296 E-value 352.346
Click to view 3D structure	Thioredoxin reductase	P61076	Plasmodium falciparum 3D7	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 3.50e-04 Supporting Reference Compounds 1 E-value 2.72472
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.281 Low confidence Statistical Significance 0.0442 Supporting Reference Compounds 226 E-value 344.405
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.281 Low confidence Statistical Significance 0.0443 Supporting Reference Compounds 227 E-value 344.561
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28702	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.278 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 31 E-value 15.7255
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P48443	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.278 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 31 E-value 9.57545
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.286 Low confidence Statistical Significance 0.022 Supporting Reference Compounds 147 E-value 170.957
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.276 Low confidence Statistical Significance 0.0251 Supporting Reference Compounds 117 E-value 195.479
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.319 Statistical Significance 0.0616 Supporting Reference Compounds 201 E-value 479.24
Click to view 3D structure	Nitric oxide synthase 3	P70313	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.8154
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P28705	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.278 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 20 E-value 9.18621
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28704	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.278 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 19 E-value 9.18621
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.311 Statistical Significance 0.0391 Supporting Reference Compounds 170 E-value 304.468
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.318 Statistical Significance 0.2421 Supporting Reference Compounds 599 E-value 1884.89
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.318 Statistical Significance 0.2877 Supporting Reference Compounds 807 E-value 2240.03
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.318 Statistical Significance 0.232 Supporting Reference Compounds 565 E-value 1806.1