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Basic Description
| Synonyms | 2,6-dimethylnicotinic acid | 5860-71-9 | 2,6-dimethylpyridine-3-carboxylic Acid | 2,6-DIMETHYL-NICOTINIC ACID | 2,6-dimethyl-3-pyridinecarboxylic acid | MFCD06738677 | 3-Pyridinecarboxylic acid, 2,6-dimethyl- | SCHEMBL181362 | methyl 6-methyl nicotinic acid | DTXSID8047101 |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Methylpyridines Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Methylpyridine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488197675 |
|---|---|
| IUPAC Name | 2,6-dimethylpyridine-3-carboxylic acid |
| INCHI | InChI=1S/C8H9NO2/c1-5-3-4-7(8(10)11)6(2)9-5/h3-4H,1-2H3,(H,10,11) |
| InChIKey | LZKZDAMNFOVXBN-UHFFFAOYSA-N |
| Smiles | CC1=NC(=C(C=C1)C(=O)O)C |
| Isomeric SMILES | CC1=NC(=C(C=C1)C(=O)O)C |
| Molecular Weight | 151.2 |
| Reaxy-Rn | 122878 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122878&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2318810 |
Certificate of Analysis | Apr 07, 2023 | D185385 |
| E2318982 |
Certificate of Analysis | Apr 07, 2023 | D185385 |
| E2318971 |
Certificate of Analysis | Apr 07, 2023 | D185385 |
| E2318815 |
Certificate of Analysis | Apr 07, 2023 | D185385 |
| E2318963 |
Certificate of Analysis | Apr 07, 2023 | D185385 |
| E2318943 |
Certificate of Analysis | Apr 07, 2023 | D185385 |
Chemical and Physical Properties
| Molecular Weight | 151.160 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 151.063 Da |
| Monoisotopic Mass | 151.063 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
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