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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-[5-(3-Nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine , CAS No.N668555
Synonyms
4-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]pyridine | Cambridge id 5802673 | Oprea1_469864 | MLS000570604 | HMS2310M15 | STK086557 | AKOS002083052 | SMR000187228 | EU-0093590 | AB00097521-01 | SR-01000552235 | SR-01000552235-1
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-[5-(3-nitrophenyl)-1, 2, 4-oxadiazol-3-yl]pyridine | Cambridge id 5802673 | Oprea1_469864 | MLS000570604 | HMS2310M15 | STK086557 | AKOS002083052 | SMR000187228 | EU-0093590 | AB00097521-01 | SR-01000552235 | SR-01000552235-1
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NO2)C3=CC=NC=C3 IUPAC Name 5-(3-nitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole InChIKey IMSXHNJZMPDAEB-UHFFFAOYSA-N INCHI 1S/C13H8N4O3/c18-17(19)11-3-1-2-10(8-11)13-15-12(16-20-13)9-4-6-14-7-5-9/h1-8H Isomeric SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NO2)C3=CC=NC=C3 Molecular Weight 268.23 Reaxy-Rn 11829852 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11829852&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azoles Subclass Oxadiazoles Intermediate Tree Nodes 1,2,4-oxadiazoles Direct Parent Phenyloxadiazoles Alternative Parents Nitrobenzenes Nitroaromatic compounds Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,2,4-oxadiazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 268.230 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 2 Exact Mass 268.06 Da Monoisotopic Mass 268.06 Da Topological Polar Surface Area 97.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 343.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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