≥95% 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 | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2Cl)C(=O)O |
|---|---|
| IUPAC Name | 3-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid |
| InChIKey | BQEVNJWCIQUOSK-UHFFFAOYSA-N |
| INCHI | 1S/C15H20ClN3O4/c1-15(2,3)23-14(22)19-8-6-18(7-9-19)12-11(16)10(13(20)21)4-5-17-12/h4-5H,6-9H2,1-3H3,(H,20,21) |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2Cl)C(=O)O |
| PubChem CID | 36995449 |
| Molecular Weight | 341.8 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Pyridinecarboxylic acids Piperazine carboxylic acids 1-carboxy-2-haloaromatic compounds Dialkylarylamines Aminopyridines and derivatives Imidolactams Aryl chlorides Vinylogous halides Heteroaromatic compounds Carbamate esters Amino acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-carboxy-2-haloaromatic compound - Dialkylarylamine - Aminopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Carbamic acid ester - Vinylogous halide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 341.790 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 341.114 Da |
| Monoisotopic Mass | 341.114 Da |
| Topological Polar Surface Area | 83.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
![2-[4-(tert-Butoxycarbonyl)piperazino]-3-chloroisonicotinic acid - ≥95% , CAS No.1135283-34-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)