2-Amino-6-bromonicotinic acid - ≥95% , CAS No.1196157-51-3

CAS: 1196157-51-3 Cat. No.: A190013 Molecular Weight: 217.02 EC Number: 838-671-4

GRADE & PURITY ≥95%

Synonyms

EN300-122508 | 2-AMINO-6-BROMO-3-PYRIDINECARBOXYLIC ACID | SCHEMBL5712383 | MFCD13190078 | SY067445 | 2-Amino-6-bromonicotinic acid | 2-Amino-6-bromonicotinic acid, AldrichCPR | FT-0765366 | 1196157-51-3 | 3-Pyridinecarboxylic acid, 2-amino-6-bromo- | 2-A

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

EN300-122508 | 2-AMINO-6-BROMO-3-PYRIDINECARBOXYLIC ACID | SCHEMBL5712383 | MFCD13190078 | SY067445 | 2-Amino-6-bromonicotinic acid | 2-Amino-6-bromonicotinic acid, AldrichCPR | FT-0765366 | 1196157-51-3 | 3-Pyridinecarboxylic acid, 2-amino-6-bromo- | 2-A

Specifications & Purity

≥95%

Storage

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

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=CC(=NC(=C1C(=O)O)N)Br
• IUPAC Name: 2-amino-6-bromopyridine-3-carboxylic acid
• InChIKey: FGOAIGICMNFDHG-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H2,8,9)(H,10,11)
• Isomeric SMILES: C1=CC(=NC(=C1C(=O)O)N)Br
• Molecular Weight: 217.02
• Reaxy-Rn: 27092017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27092017&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: Aminopyridines and derivatives 2-halopyridines Imidolactams Aryl bromides Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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

• Molecular Weight: 217.020 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.953 Da
• Monoisotopic Mass: 215.953 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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