≥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 | CC1=C(C(=NC=C1)Cl)C#N |
|---|---|
| IUPAC Name | 2-chloro-4-methylpyridine-3-carbonitrile |
| InChIKey | BXUFVXSRHLSIMN-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClN2/c1-5-2-3-10-7(8)6(5)4-9/h2-3H,1H3 |
| Isomeric SMILES | CC1=C(C(=NC=C1)Cl)C#N |
| PubChem CID | 12387736 |
| Molecular Weight | 152.58 |
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 | Methylpyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridinecarbonitrile - Methylpyridine - 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - 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 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 152.580 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.014 Da |
| Monoisotopic Mass | 152.014 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
I2501328