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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid - ≥97% , CAS No.858340-93-9
Synonyms
5-Nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid | DTXSID40677513 | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-NITRO- | PB28480 | MFCD12962913 | SCHEMBL496969 | SY098483 | AKOS015902064 | A863423 | RASQKOVSKRYFCS-UHFFFAOYSA-N | AS-33621 | 5-NITRO-7
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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
5-Nitro-1H-pyrrolo[2, 3-b]pyridine-3-carboxylic acid | DTXSID40677513 | 1H-PYRROLO[2, 3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-NITRO- | PB28480 | MFCD12962913 | SCHEMBL496969 | SY098483 | AKOS015902064 | A863423 | RASQKOVSKRYFCS-UHFFFAOYSA-N | AS-33621 | 5-NITRO-7
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1=C(C=NC2=C1C(=CN2)C(=O)O)[N+](=O)[O-] IUPAC Name 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid InChIKey RASQKOVSKRYFCS-UHFFFAOYSA-N INCHI 1S/C8H5N3O4/c12-8(13)6-3-10-7-5(6)1-4(2-9-7)11(14)15/h1-3H,(H,9,10)(H,12,13) Isomeric SMILES C1=C(C=NC2=C1C(=CN2)C(=O)O)[N+](=O)[O-] Molecular Weight 207.145 Reaxy-Rn 14433320 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14433320&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 Pyrrolopyridines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrrolopyridines Alternative Parents Nitroaromatic compounds Pyrrole carboxylic acids Pyridines and derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrrolopyridine - Pyrrole-3-carboxylic acid or derivatives - Nitroaromatic compound - Pyrrole-3-carboxylic acid - Substituted pyrrole - Pyridine - Pyrrole - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 207.140 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 207.028 Da Monoisotopic Mass 207.028 Da Topological Polar Surface Area 112.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 290.000 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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