Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=NC(=C1C(=O)N)Cl)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-chloro-5-nitropyridine-3-carboxamide |
| InChIKey | ISGBAOSZUCMBKK-UHFFFAOYSA-N |
| INCHI | 1S/C6H4ClN3O3/c7-5-4(6(8)11)1-3(2-9-5)10(12)13/h1-2H,(H2,8,11) |
| Isomeric SMILES | C1=C(C=NC(=C1C(=O)N)Cl)[N+](=O)[O-] |
| Molecular Weight | 201.57 |
| Reaxy-Rn | 398586 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=398586&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Pyridinecarboxamides |
| Direct Parent | Nicotinamides |
| Alternative Parents | Nitroaromatic compounds 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nicotinamide - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. |
| External Descriptors | Not available |
| Flash Point(°C) | 147.7°C |
|---|---|
| Boil Point(°C) | 320.7°C at 760 mmHg |
| Molecular Weight | 201.570 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.994 Da |
| Monoisotopic Mass | 200.994 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| 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 |