2,5-Dichloropyridine-4-carboxylic acid - ≥98% , CAS No.88912-26-9

CAS: 88912-26-9 Cat. No.: D139397 Molecular Weight: 192 EC Number: 679-892-4

GRADE & PURITY ≥98%

Synonyms

AM20061596 | SCHEMBL1300053 | 2,5-dichloropyridine-4-carboxylic Acid | GFOVTTQVBDEYPP-UHFFFAOYSA- | 2,5-Dichloroisonicotinic acid | 2,5-dichloro-isonicotinic acid | BBL102333 | STL556133 | J-507318 | Z1255450473 | 2,5-Dichloroisonicotinicacid | 4-PYRIDINE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM20061596 | SCHEMBL1300053 | 2, 5-dichloropyridine-4-carboxylic Acid | GFOVTTQVBDEYPP-UHFFFAOYSA- | 2, 5-Dichloroisonicotinic acid | 2, 5-dichloro-isonicotinic acid | BBL102333 | STL556133 | J-507318 | Z1255450473 | 2, 5-Dichloroisonicotinicacid | 4-PYRIDINE

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761289
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761289
• Canonical Smiles: C1=C(C(=CN=C1Cl)Cl)C(=O)O
• IUPAC Name: 2,5-dichloropyridine-4-carboxylic acid
• InChIKey: GFOVTTQVBDEYPP-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
• Isomeric SMILES: C1=C(C(=CN=C1Cl)Cl)C(=O)O
• WGK Germany: 3
• Molecular Weight: 192
• Reaxy-Rn: 8762372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8762372&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: Polyhalopyridines 1-carboxy-2-haloaromatic compounds 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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

• Melt Point(°C): 235-240℃
• Molecular Weight: 192.000 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 50.200 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