2,2':6',2''-Terpyridine-4'-carboxylic acid - ≥95% , CAS No.148332-36-9

CAS: 148332-36-9 Cat. No.: T123375 Molecular Weight: 277.28 EC Number: 811-128-9 PubChem CID: 2762749

GRADE & PURITY ≥95%

Synonyms

2,2':6',2''-terpyridine-4'-carboxylic acid | AM84448 | C72825 | [2,2':6',2''-Terpyridine]-4'-carboxylicacid | SY055307 | 2,6-dipyridin-2-ylpyridine-4-carboxylic Acid | MFCD04114290 | YFA33236 | C16H11N3O2 | [2,2 inverted exclamation mark :6 inverted excla

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 2':6', 2''-terpyridine-4'-carboxylic acid | AM84448 | C72825 | [2, 2':6', 2''-Terpyridine]-4'-carboxylicacid | SY055307 | 2, 6-dipyridin-2-ylpyridine-4-carboxylic Acid | MFCD04114290 | YFA33236 | C16H11N3O2 | [2, 2 inverted exclamation mark :6 inverted excla

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504761685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761685
• Canonical Smiles: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C(=O)O
• IUPAC Name: 2,6-dipyridin-2-ylpyridine-4-carboxylic acid
• InChIKey: ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
• INCHI: 1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)
• Isomeric SMILES: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C(=O)O
• PubChem CID: 2762749
• Molecular Weight: 277.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Pyridinecarboxylic acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

• Solubility: Slightly soluble in water.
• Sensitivity: Hygroscopic
• Melt Point(°C): 280-282°C
• Molecular Weight: 277.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 277.085 Da
• Monoisotopic Mass: 277.085 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 337.000
• 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

References

1. Shuang Tang, Yang-Sen Xu, Xue-Lian Hu, Wei-De Zhang.  (2023)  Bifunctionalization of carbon nitride by incorporation of thiophene ring and polar nickel complex to promote photocatalytic activity for hydrogen evolution.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37329601] [10.1016/j.jcis.2023.06.055]