≥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.
| Sonrisas canónicas | CC1=NC(=C(C=C1C#N)Cl)N |
|---|---|
| IUPAC Name | 6-amino-5-chloro-2-methylpyridine-3-carbonitrile |
| InChIKey | OHZUCWMBBRJFNP-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClN3/c1-4-5(3-9)2-6(8)7(10)11-4/h2H,1H3,(H2,10,11) |
| Isómeros SMILES | CC1=NC(=C(C=C1C#N)Cl)N |
| Peso molecular | 167.59 |
| Reaxy-Rn | 24644748 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24644748&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 |
| Clase | Pyridines and derivatives |
| Subclass | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | Methylpyridines Aminopyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridinecarbonitrile - Aminopyridine - Methylpyridine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 167.590 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 167.025 Da |
| Monoisotopic Mass | 167.025 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 |
J2308226