N-(5-Bromo-pyridin-2-yl)-succinamic acid (CED0101366)

Record Information

Version

1.0

Creation Date

2026-04-05 10:54:05 UTC

Update Date

2026-08-25 22:31:00 UTC

SynCED ID

CED0101366

Secondary Accession Numbers

CHEM099636

Identification

Common Name

N-(5-Bromo-pyridin-2-yl)-succinamic acid

Class

Small Molecule

Description

N-(5-Bromo-pyridin-2-yl)-succinamic acid belongs to the n-arylamides, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C9H9BrN2O3 and an average molecular weight of 273.09 g/mol. Within the organic nitrogen compounds superclass, it is identified as having one recorded protein target, which is the genome polyprotein.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-[(5-Bromopyridin-2-yl)amino]-4-oxobutanoate	Generator
3-[(5-Bromopyridin-2-yl)-C-hydroxycarbonimidoyl]propanoate	Generator

Chemical Formula

C₉H₉BrN₂O₃

Average Molecular Mass

273.086 g/mol

Monoisotopic Mass

271.980 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=O)CCC(=O)NC1=NC=C(Br)C=C1

InChI Identifier

InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)

InChI Key

XFYYQDHEDOXWGA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

N-arylamides

Direct Parent

N-arylamides

Alternative Parents

Substituents

N-arylamide
Aryl bromide
Aryl halide
Fatty amide
Pyridine
Fatty acyl
Imidolactam
Heteroaromatic compound
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organopnictogen compound
Hydrocarbon derivative
Organic oxygen compound
Organohalogen compound
Organobromide
Organooxygen compound
Carbonyl group
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00dl-9620000000-1c92571071c3506c325f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fk9-0390000000-94f4004f137909591b1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fk9-4690000000-57231bd15312e556a5c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05i0-8910000000-c8cd329eff5acfdd19e2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0290000000-9d2370c895bb3dd20f0f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-1690000000-24315de630a399e4138a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fk9-3900000000-569056b4cc9e555015be	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1830.0 Log mg/kg [1000:3300]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000724	Pencil Sharpener?A pencil sharpener, commonly used in various settings for maintaining the sharpness of pencils, can be a source of synthetic chemical contamination primarily through the materials from which it is constructed.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	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	Luciferin 4-monooxygenase	Q01158	Luciola lateralis	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.356 Statistical Significance 4.60e-04 Supporting Reference Compounds 2 E-value 3.58106
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.382 Statistical Significance 0.0011 Supporting Reference Compounds 35 E-value 8.71911
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.382 Statistical Significance 1.90e-04 Supporting Reference Compounds 14 E-value 1.47914
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.318 Statistical Significance 0.0962 Supporting Reference Compounds 553 E-value 748.676
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.318 Statistical Significance 0.0482 Supporting Reference Compounds 257 E-value 375.545
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.318 Statistical Significance 0.1085 Supporting Reference Compounds 497 E-value 844.508
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.333 Statistical Significance 0.2044 Supporting Reference Compounds 1301 E-value 1591.32
Click to view 3D structure	Histone deacetylase 5	Q9UQL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.318 Statistical Significance 0.031 Supporting Reference Compounds 172 E-value 241.644
Click to view 3D structure	Beta-adrenergic receptor kinase 1	P25098	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.309 Statistical Significance 0.0079 Supporting Reference Compounds 76 E-value 61.423
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.318 Statistical Significance 0.0758 Supporting Reference Compounds 317 E-value 589.786
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.382 Statistical Significance 0.0028 Supporting Reference Compounds 45 E-value 22.1092
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.318 Statistical Significance 0.0831 Supporting Reference Compounds 307 E-value 646.849
Click to view 3D structure	Lysine-specific demethylase 4E	B2RXH2	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.382 Statistical Significance 0.0049 Supporting Reference Compounds 39 E-value 38.224
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.318 Statistical Significance 0.0581 Supporting Reference Compounds 185 E-value 452.538
Click to view 3D structure	Probable nicotinate-nucleotide adenylyltransferase	C3L5T6	Bacillus anthracis	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.9888
Click to view 3D structure	Polyamine deacetylase HDAC10	Q969S8	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.318 Statistical Significance 0.039 Supporting Reference Compounds 130 E-value 303.69
Click to view 3D structure	Protein-serine O-palmitoleoyltransferase porcupine	Q9JJJ7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.322 Statistical Significance 0.003 Supporting Reference Compounds 10 E-value 23.1212
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.298 Low confidence Statistical Significance 0.0259 Supporting Reference Compounds 128 E-value 201.941
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.318 Statistical Significance 0.2781 Supporting Reference Compounds 1022 E-value 2165.14
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.318 Statistical Significance 0.3392 Supporting Reference Compounds 1660 E-value 2640.8
Click to view 3D structure	Lysine-specific demethylase 6B	O15054	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.382 Statistical Significance 0.0034 Supporting Reference Compounds 32 E-value 26.1573
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.318 Statistical Significance 0.3229 Supporting Reference Compounds 1274 E-value 2513.91
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.318 Statistical Significance 0.4725 Supporting Reference Compounds 1538 E-value 3678.61
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.318 Statistical Significance 0.4671 Supporting Reference Compounds 1498 E-value 3636.03
Click to view 3D structure	tRNA (guanine-N(1)-)-methyltransferase	P0A873	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.306 Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 14.0129