Regioselective deprotonation at C-3 with LDA followed by trapping with carbon dioxide provides the correspondin nicotinic acid.
| Pubchem Sid | 488193849 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193849 |
| Canonical Smiles | C1=CN=C(C=C1C(F)(F)F)Br |
| IUPAC Name | 2-bromo-4-(trifluoromethyl)pyridine |
| InChIKey | WZVHLUMAQLUNTJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H |
| Isomeric SMILES | C1=CN=C(C=C1C(F)(F)F)Br |
| WGK Germany | 3 |
| Molecular Weight | 225.99 |
| Reaxy-Rn | 9477872 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9477872&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 | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-halopyridines |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom. |
| 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 |
|---|---|---|---|
 K2526107 | Certificate of Analysis | Dec 03, 2025 | B124350 |
| L2125320 | Certificate of Analysis | Oct 17, 2025 | B124350 |
| L2125324 | Certificate of Analysis | Oct 17, 2025 | B124350 |
| L2125350 | Certificate of Analysis | Oct 17, 2025 | B124350 |
| D1621056 | Certificate of Analysis | Dec 12, 2023 | B124350 |
| E2326183 | Certificate of Analysis | Jun 06, 2023 | B124350 |
| C2506173 | Certificate of Analysis | Dec 03, 2021 | B124350 |
| E2326180 | Certificate of Analysis | Dec 03, 2021 | B124350 |
| F2406078 | Certificate of Analysis | Dec 03, 2021 | B124350 |
| Sensitivity | Air Sensitive |
|---|---|
| Refractive Index | 1.478 |
| Flash Point(°F) | 163.4 °F |
| Flash Point(°C) | 73℃(164°F) |
| Boil Point(°C) | 84-85°C/14mmHg |
| Melt Point(°C) | -20 °C |
| Molecular Weight | 225.990 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 224.94 Da |
| Monoisotopic Mass | 224.94 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |
