2-fluoro-3-nitrophenol (CED0196190)

Record Information
Version1.0
Creation Date2026-08-23 10:22:24 UTC
Update Date2026-08-23 10:22:24 UTC
SynCED IDCED0196190
Secondary Accession Numbers
  • CHEM231346
Identification
Common Name2-fluoro-3-nitrophenol
ClassSmall Molecule
Description
2-fluoro-3-nitrophenol belongs to the nitrophenols, a subclass of phenols within the organic compounds. It is classified under the superclass of benzenoids. The compound has the formula C6H4FNO3 and an average molecular weight of 157.10 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H4FNO3
Average Molecular Mass157.100 g/mol
Monoisotopic Mass157.018 g/mol
CAS Registry Number179816-26-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H4FNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H
InChI KeyQZOGSUCWBIPKDC-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
248.0 Log mg/kg [140:440]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000633Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.Textiles, leather & furnishingsPubChem
CEDs000648Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.355
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.382
Statistical Significance
3.80e-04
Supporting Reference Compounds
15
E-value
2.95827
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.351
Statistical Significance
1.60e-04
Supporting Reference Compounds
2
E-value
1.24559
Cystathionine beta-lyase MetC structureClick to view 3D structureCystathionine beta-lyase MetCP06721Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.318
Statistical Significance
2.40e-04
Supporting Reference Compounds
1
E-value
1.86838
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.385
Statistical Significance
0.0055
Supporting Reference Compounds
205
E-value
42.5057
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.405
Statistical Significance
0.0034
Supporting Reference Compounds
55
E-value
26.7023
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.333
Statistical Significance
0.0446
Supporting Reference Compounds
472
E-value
346.896
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.405
Statistical Significance
0.0037
Supporting Reference Compounds
115
E-value
28.8042
Genome polyprotein structureClick to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.326
Statistical Significance
0.0037
Supporting Reference Compounds
58
E-value
29.1935
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.40772
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.333
Statistical Significance
0.0464
Supporting Reference Compounds
407
E-value
361.143
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.327
Statistical Significance
0.0298
Supporting Reference Compounds
343
E-value
232.302
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.31
Statistical Significance
0.0263
Supporting Reference Compounds
296
E-value
204.588
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.308
Statistical Significance
0.0519
Supporting Reference Compounds
332
E-value
403.726
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.318
Statistical Significance
0.0108
Supporting Reference Compounds
147
E-value
83.9993
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.327
Statistical Significance
0.0057
Supporting Reference Compounds
78
E-value
44.4519
Thioredoxin reductase structureClick to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.268 Low confidence
Statistical Significance
3.50e-04
Supporting Reference Compounds
1
E-value
2.72472
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.314
Statistical Significance
0.0711
Supporting Reference Compounds
425
E-value
553.508
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.318
Statistical Significance
0.0171
Supporting Reference Compounds
109
E-value
133.356
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0347
Supporting Reference Compounds
166
E-value
270.37
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.385
Statistical Significance
0.0094
Supporting Reference Compounds
104
E-value
73.5675
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.275 Low confidence
Statistical Significance
5.30e-04
Supporting Reference Compounds
2
E-value
4.12601
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.318
Statistical Significance
0.0289
Supporting Reference Compounds
128
E-value
225.296
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.333
Statistical Significance
0.3222
Supporting Reference Compounds
1301
E-value
2507.99
Click to view 3D structureIntestinal-type alkaline phosphataseP24822Mus musculusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.308
Statistical Significance
0.005
Supporting Reference Compounds
58
E-value
39.3139
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available