2-Bromo-4-hydroxynicotinic acid - ≥95% , CAS No.1150561-81-1

CAS: 1150561-81-1 Cat. No.: B179694 Molecular Weight: 218.00

GRADE & PURITY ≥95%

Synonyms

2-Bromo-4-hydroxynicotinic acid | BS-19440 | DTXSID40657234 | 2-Bromo-4-hydroxynicotinicacid | D94451 | 1150561-81-1 | A893950 | 2-Bromo-4-hydroxypyridine-3-carboxylic acid | 2-bromo-4-oxo-1H-pyridine-3-carboxylic acid | AWB56181 | MFCD12026106 | 2-Bromo-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Bromo-4-hydroxynicotinic acid | BS-19440 | DTXSID40657234 | 2-Bromo-4-hydroxynicotinicacid | D94451 | 1150561-81-1 | A893950 | 2-Bromo-4-hydroxypyridine-3-carboxylic acid | 2-bromo-4-oxo-1H-pyridine-3-carboxylic acid | AWB56181 | MFCD12026106 | 2-Bromo-

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CNC(=C(C1=O)C(=O)O)Br
• IUPAC Name: 2-bromo-4-oxo-1H-pyridine-3-carboxylic acid
• InChIKey: KOXXROVSDNRBCY-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrNO3/c7-5-4(6(10)11)3(9)1-2-8-5/h1-2H,(H,8,9)(H,10,11)
• Isomeric SMILES: C1=CNC(=C(C1=O)C(=O)O)Br
• Molecular Weight: 218.00

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: Dihydropyridinecarboxylic acids and derivatives 2-halopyridines Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - 2-halopyridine - Dihydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen 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

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

• Sensitivity: Light sensitive
• Molecular Weight: 218.000 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 216.937 Da
• Monoisotopic Mass: 216.937 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 280.000
• 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