≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)OC |
|---|---|
| IUPAC Name | methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate |
| InChIKey | CCGFBYOYKYWINY-UHFFFAOYSA-N |
| INCHI | 1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(17)18-5)10(15)16-7-8/h6-7H,1-5H3,(H2,15,16) |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)OC |
| Alternate CAS | 947249-44-7 |
| PubChem CID | 59251695 |
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 | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Aminopyridines and derivatives Imidolactams Vinylogous amides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Methyl esters Amino acids and derivatives Azacyclic compounds Organic metalloid salts Oxacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organometalloid compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Aminopyridine - Imidolactam - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Vinylogous amide - Methyl ester - Amino acid or derivatives - Boronic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - 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 |
| Molecular Weight | 278.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.144 Da |
| Monoisotopic Mass | 278.144 Da |
| Topological Polar Surface Area | 83.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 373.000 |
| 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 |
