2-Amino-5-bromoisonicotinic acid - ≥98% , CAS No.1000339-23-0

CAS: 1000339-23-0 Cat. No.: A178641 Summenformel: C₆H₅BrN₂O₂ Molekulargewicht: 217 EG-Nummer: 855-481-7

GRADE & PURITY ≥98%

Synonyms

2-AMINO-5-BROMOISONICOTINICACID | DS-16912 | DTXSID70662790 | 2-Amino-5-Bromo Iso Nicotinic Acid | AKOS015855017 | SCHEMBL4790109 | 4-Pyridinecarboxylic acid, 2-amino-5-bromo- | 2-Amino-5-bromo-4-pyridinecarboxylic acid | CL0043 | Z1269174740 | 1000339-23

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-AMINO-5-BROMOISONICOTINICACID | DS-16912 | DTXSID70662790 | 2-Amino-5-Bromo Iso Nicotinic Acid | AKOS015855017 | SCHEMBL4790109 | 4-Pyridinecarboxylic acid, 2-amino-5-bromo- | 2-Amino-5-bromo-4-pyridinecarboxylic acid | CL0043 | Z1269174740 | 1000339-23

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488201136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201136
• Kanonisches Lächeln: C1=C(C(=CN=C1N)Br)C(=O)O
• IUPAC Name: 2-amino-5-bromopyridine-4-carboxylic acid
• InChIKey: JJJKKHUIIDAXKW-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
• Isomere SMILES: C1=C(C(=CN=C1N)Br)C(=O)O
• Molekulargewicht: 217
• Reaxy-Rn: 22523663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22523663&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: 1-carboxy-2-haloaromatic compounds Aminopyridines and derivatives Imidolactams Aryl bromides Vinylogous halides Heteroaromatic compounds Amino acids Azacyclic compounds Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Aminopyridine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 217.020 g/mol
• XLogP3: 0.700
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1000339-23-0, the molecular formula is C6H5BrN2O2, and the molecular weight is 217 g/mol. InChIKey JJJKKHUIIDAXKW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.