6-chloro-5-fluoro-pyrimidine-4-carboxylic acid - ≥97% , CAS No.1256785-64-4

CAS: 1256785-64-4 Cat. No.: C627818 Molecular Weight: 176.53 EC Number: 822-695-7 PubChem CID: 129915729

GRADE & PURITY ≥97%

Synonyms

6-chloro-5-fluoro-pyrimidine-4-carboxylic acid | 6-Chloro-5-fluoropyrimidine-4-carboxylic acid | Z1255390032 | 1256785-64-4 | D96548 | EN300-1716853 | 6-Chloro-5-fluoropyrimidine-4-carboxylicacid | AKOS040767411 | PB40097 | PS-15844

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6-chloro-5-fluoro-pyrimidine-4-carboxylic acid | 6-Chloro-5-fluoropyrimidine-4-carboxylic acid | Z1255390032 | 1256785-64-4 | D96548 | EN300-1716853 | 6-Chloro-5-fluoropyrimidine-4-carboxylicacid | AKOS040767411 | PB40097 | PS-15844

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=NC(=C(C(=N1)Cl)F)C(=O)O
• IUPAC Name: 6-chloro-5-fluoropyrimidine-4-carboxylic acid
• InChIKey: CTMKNADCFBTSHO-UHFFFAOYSA-N
• INCHI: 1S/C5H2ClFN2O2/c6-4-2(7)3(5(10)11)8-1-9-4/h1H,(H,10,11)
• Isomeric SMILES: C1=NC(=C(C(=N1)Cl)F)C(=O)O
• Alternate CAS: 1256785-64-4
• PubChem CID: 129915729
• Molecular Weight: 176.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Halopyrimidines Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-6-carboxylic acid - Halopyrimidine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
• 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