| Canonical Smiles | C1=CC(=CN=C1)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 3-nitropyridine |
| InChIKey | QLILRKBRWXALIE-UHFFFAOYSA-N |
| INCHI | 1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-4H |
| Isomeric SMILES | C1=CC(=CN=C1)[N+](=O)[O-] |
| UN Number | 2811 |
| Packing Group | III |
| Molecular Weight | 124.1 |
| Beilstein | 20(5)5,444 |
| Reaxy-Rn | 111969 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111969&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 | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2502522 | Certificate of Analysis | Aug 09, 2025 | N158871 |
| F2517052 | Certificate of Analysis | Nov 01, 2024 | N158871 |
| K2408508 | Certificate of Analysis | Nov 01, 2024 | N158871 |
| K2408527 | Certificate of Analysis | Nov 01, 2024 | N158871 |
| K2408528 | Certificate of Analysis | Nov 01, 2024 | N158871 |
| K2408529 | Certificate of Analysis | Nov 01, 2024 | N158871 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 225.0 °F |
| Flash Point(°C) | 107.2 °C |
| Boil Point(°C) | 216 °C |
| Melt Point(°C) | 35-40 °C |
| Molecular Weight | 124.100 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 124.027 Da |
| Monoisotopic Mass | 124.027 Da |
| Topological Polar Surface Area | 58.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
