1,3-Benzenediol, 4-(2-pyridinylazo)- (CED0047937)

Record Information

Version

1.0

Creation Date

2026-04-03 12:32:41 UTC

Update Date

2026-08-18 15:09:48 UTC

Accession Number

CHEM064366

Identification

Common Name

1,3-Benzenediol, 4-(2-pyridinylazo)-

Class

Small Molecule

Description

1,3-Benzenediol, 4-(2-pyridinylazo)- is an organic compound with the chemical formula C11H9N3O2 and an average molecular weight of 215.21 g/mol. 1,3-Benzenediol, 4-(2-pyridinylazo)- belongs to the benzenediols, a subclass of phenols within the organic compounds. This compound is classified under the superclass of benzenoids. It has been identified as being found in or released from one recorded source, which consists of household items such as watch chains.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₉N₃O₂

Average Molecular Mass

215.212 g/mol

Monoisotopic Mass

215.069 g/mol

CAS Registry Number

1141-59-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,16H,(H,12,14)/b13-9-

InChI Key

RJNYNDHYSJRRDW-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-000i-5910000000-fd637085b0cb7d29d04a	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0090000000-c09586cb3c73fdb1afd7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0690000000-17570a61f37a45ff318d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00fr-8900000000-be29abad68585d5bdfe3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0090000000-e49feeb238d1ace48f0c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1790000000-2b69a6ca7f08f59ad49d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9500000000-b5816374f56f7194cfe1	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1502.0	Log mg/kg	[840:2700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
577	Watch Chains	Household items	Not Available

Pathways

0 pathways

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	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	18.1389
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	84.155
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	421.009
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	295.282
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	590.097
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	154.92
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	1910.96
Click to view 3D structure	Bromodomain-containing protein 3	Q15059	Humans	Predicted (SEA)	166.364
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	637.819
Click to view 3D structure	Krueppel-like factor 5	Q13887	Humans	Predicted (SEA)	178.119
Click to view 3D structure	CREB-binding protein	Q92793	Humans	Predicted (SEA)	120.978
Click to view 3D structure	Botulinum neurotoxin type A	P0DPI0	Clostridium botulinum	Predicted (SEA)	8.01847
Click to view 3D structure	SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 4	P51532	Humans	Predicted (SEA)	37.679
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	729.681
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	3375.23
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	3466.86
Click to view 3D structure	Bromodomain-containing protein 7	Q9NPI1	Humans	Predicted (SEA)	85.5563
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	4333.63
Click to view 3D structure	Lysine-specific demethylase 6B	O15054	Humans	Predicted (SEA)	131.02
Click to view 3D structure	Lysine-specific demethylase 4E	B2RXH2	Humans	Predicted (SEA)	266.011
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	3967.74
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	5006.02
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	405.75
Click to view 3D structure	Lysine-specific demethylase 4A	O75164	Humans	Predicted (SEA)	254.333
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	1736.27