≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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=CC(=CN=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide |
| InChIKey | OBZHOVWNZIVCCZ-UHFFFAOYSA-N |
| INCHI | 1S/C11H9N3O4/c15-11(9-3-4-10(18-9)14(16)17)13-7-8-2-1-5-12-6-8/h1-6H,7H2,(H,13,15) |
| Isomeric SMILES | C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 693996 |
| Molecular Weight | 247.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Furans |
| Subclass | Nitrofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrofurans |
| Alternative Parents | 2-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 247.210 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.059 Da |
| Monoisotopic Mass | 247.059 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 318.000 |
| 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 |
