≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Pubchem Sid | 504767516 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767516 |
| Canonical Smiles | CC1=C(C(=C(N=C1C)Cl)C#N)C |
| IUPAC Name | 2-chloro-4,5,6-trimethylpyridine-3-carbonitrile |
| InChIKey | OPJDHHFDFUSYCZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H9ClN2/c1-5-6(2)8(4-11)9(10)12-7(5)3/h1-3H3 |
| Isomeric SMILES | CC1=C(C(=C(N=C1C)Cl)C#N)C |
| Molecular Weight | 180.63 |
| Reaxy-Rn | 137676 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=137676&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 | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2330680 | Certificate of Analysis | Mar 11, 2026 | C480148 |
| E2330682 | Certificate of Analysis | Mar 11, 2026 | C480148 |
| E2330687 | Certificate of Analysis | Mar 11, 2026 | C480148 |
| E2330738 | Certificate of Analysis | Mar 11, 2026 | C480148 |
| J2523040 | Certificate of Analysis | Apr 19, 2023 | C480148 |
| Molecular Weight | 180.630 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.045 Da |
| Monoisotopic Mass | 180.045 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 |
