5-bromo-2-methoxy-4-methylpyridine (CED0207731)

Record Information

Version

1.0

Creation Date

2026-08-24 07:59:58 UTC

Update Date

2026-08-24 07:59:58 UTC

SynCED ID

CED0207731

Secondary Accession Numbers

CHEM246102

Identification

Common Name

5-bromo-2-methoxy-4-methylpyridine

Class

Small Molecule

Description

5-bromo-2-methoxy-4-methylpyridine belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C7H8BrNO and an average molecular weight of 202.05 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₈BrNO

Average Molecular Mass

202.050 g/mol

Monoisotopic Mass

200.979 g/mol

CAS Registry Number

164513-39-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3

InChI Key

HTBPXLJKMNBQMS-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
226.0 Log mg/kg [130:400]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	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
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	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
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	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	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.311 Statistical Significance 0.1074 Supporting Reference Compounds 536 E-value 836.256
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.311 Statistical Significance 0.1427 Supporting Reference Compounds 459 E-value 1110.75
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.311 Statistical Significance 0.1464 Supporting Reference Compounds 450 E-value 1139.95
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.311 Statistical Significance 0.1249 Supporting Reference Compounds 372 E-value 972.726
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.295 Low confidence Statistical Significance 0.4072 Supporting Reference Compounds 1301 E-value 3170.02
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.295 Low confidence Statistical Significance 0.4174 Supporting Reference Compounds 1130 E-value 3249.27
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.333 Statistical Significance 0.0857 Supporting Reference Compounds 226 E-value 667.324
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.333 Statistical Significance 0.0858 Supporting Reference Compounds 227 E-value 667.713
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.271 Low confidence Statistical Significance 0.1667 Supporting Reference Compounds 403 E-value 1297.67
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.256 Low confidence Statistical Significance 0.1115 Supporting Reference Compounds 185 E-value 868.174
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.256 Low confidence Statistical Significance 0.3801 Supporting Reference Compounds 955 E-value 2958.89
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.273 Low confidence Statistical Significance 0.3464 Supporting Reference Compounds 553 E-value 2696.39
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.295 Low confidence Statistical Significance 0.5488 Supporting Reference Compounds 1660 E-value 4272.05
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.295 Low confidence Statistical Significance 0.5134 Supporting Reference Compounds 1274 E-value 3996.47
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.295 Low confidence Statistical Significance 0.4712 Supporting Reference Compounds 961 E-value 3668.41
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.295 Low confidence Statistical Significance 0.4469 Supporting Reference Compounds 807 E-value 3479.08
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.267 Low confidence Statistical Significance 0.0388 Supporting Reference Compounds 156 E-value 302.366
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.261 Low confidence Statistical Significance 0.0251 Supporting Reference Compounds 89 E-value 195.713
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.295 Low confidence Statistical Significance 0.4602 Supporting Reference Compounds 833 E-value 3582.93
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.256 Low confidence Statistical Significance 0.2093 Supporting Reference Compounds 380 E-value 1629.46
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.295 Low confidence Statistical Significance 0.4466 Supporting Reference Compounds 721 E-value 3477.14
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Q8BTI9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.235 Low confidence Statistical Significance 0.0057 Supporting Reference Compounds 1 E-value 44.1405
Click to view 3D structure	Solute carrier family 13 member 2	Q13183	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.235 Low confidence Statistical Significance 5.60e-04 Supporting Reference Compounds 1 E-value 4.35956
Click to view 3D structure	Na(+)/citrate cotransporter	Q8CJ44	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.235 Low confidence Statistical Significance 5.60e-04 Supporting Reference Compounds 1 E-value 4.35956
Click to view 3D structure	Na(+)/citrate cotransporter	Q67BT3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.235 Low confidence Statistical Significance 5.60e-04 Supporting Reference Compounds 1 E-value 4.35956