≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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#N)Br)F |
|---|---|
| IUPAC Name | 2-bromo-5-fluoropyridine-3-carbonitrile |
| InChIKey | BETGXNHMWBYWJF-UHFFFAOYSA-N |
| INCHI | 1S/C6H2BrFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H |
| Isomeric SMILES | C1=C(C=NC(=C1C#N)Br)F |
| PubChem CID | 53429157 |
| Molecular Weight | 201 |
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 | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | Polyhalopyridines 2-halopyridines Aryl fluorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 3-pyridinecarbonitrile - 2-halopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group. |
| External Descriptors | Not available |
| Molecular Weight | 201.000 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 199.939 Da |
| Monoisotopic Mass | 199.939 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
