5-Boronopicolinic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.913836-11-0

CAS: 913836-11-0 Cat. No.: B188132 Molecular Weight: 166.90 EC Number: 689-080-1

GRADE & PURITY ≥97%

Synonyms

5-BORONOPICOLINIC ACID | 6-Carboxypyridine-3-boronic acid | SB52596 | AKOS006344981 | BB 0261778 | SCHEMBL3719519 | 5-BORONOPICOLINICACID | PS-9484 | 2-Carboxy-5-pyridineboronic acid | J-518482 | AMY15309 | 2-Carboxypyridine-5-boronic acid | A22226 | FD72

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-BORONOPICOLINIC ACID | 6-Carboxypyridine-3-boronic acid | SB52596 | AKOS006344981 | BB 0261778 | SCHEMBL3719519 | 5-BORONOPICOLINICACID | PS-9484 | 2-Carboxy-5-pyridineboronic acid | J-518482 | AMY15309 | 2-Carboxypyridine-5-boronic acid | A22226 | FD72

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CN=C(C=C1)C(=O)O)(O)O
• IUPAC Name: 5-boronopyridine-2-carboxylic acid
• InChIKey: UEKWXZLQKGKCEQ-UHFFFAOYSA-N
• INCHI: 1S/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)
• Isomeric SMILES: B(C1=CN=C(C=C1)C(=O)O)(O)O
• Molecular Weight: 166.90
• Reaxy-Rn: 10428679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10428679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• 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: Heteroaromatic compounds Boronic acids Organic metalloid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Carboxylic acid derivative - Carboxylic acid - Organic metalloid salt - Azacycle - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 166.930 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 167.039 Da
• Monoisotopic Mass: 167.039 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 175.000
• 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

XLogP3