2,2'-Bipyridine-3,3'-dicarboxylic Acid - ≥98% , CAS No.4433-01-6

CAS: 4433-01-6 Cat. No.: B152120 Peso molecular: 244.21 Beilstein Registry Number: 25(5)6,36 Número EC: 626-820-4

GRADE & PURITY ≥98%

Synonyms

2-(3-carboxy-2-pyridyl)pyridine-3-carboxylic acid | AC-8995 | CBDivE_002636 | CHEBI:107744 | 2,2'-bipyridyl-3,3'-dicarboxylic acid | STK369226 | 2,2'-bipyridine-3,3'-dicarboxylic acid | 2,2'-Bipyridine-3,3-dicarboxylic acid | 2-(3-carboxy-2-pyridyl)nicoti

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(3-carboxy-2-pyridyl)pyridine-3-carboxylic acid | AC-8995 | CBDivE_002636 | CHEBI:107744 | 2, 2'-bipyridyl-3, 3'-dicarboxylic acid | STK369226 | 2, 2'-bipyridine-3, 3'-dicarboxylic acid | 2, 2'-Bipyridine-3, 3-dicarboxylic acid | 2-(3-carboxy-2-pyridyl)nicoti

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759846
• Sonrisas canónicas: C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O
• IUPAC Name: 2-(3-carboxypyridin-2-yl)pyridine-3-carboxylic acid
• InChIKey: KNVZVRWMLMPTTJ-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)
• Isómeros SMILES: C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O
• Peso molecular: 244.21
• Beilstein: 25(5)6,36
• Reaxy-Rn: 19913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19913&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Pyridinecarboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds 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 - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 261°C
• Peso molecular: 244.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 244.048 Da
• Monoisotopic Mass: 244.048 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 302.000
• 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

Referencias

1. Zining Hao, Shu Guo, Wenkang Tu, Qiang Wang, Jing Wang, Xuwu Zhang, Yuchu He, Dawei Gao.  (2024)  Piezoelectric Catalysis Induces Tumor Cell Senescence to Boost Chemo-Immunotherapy.  Small,      [PMID:38197548] [10.1002/smll.202309487]

2. Renquan Guan, Xueying Cheng, Weilong Che, Yunning Chen, Zhengkai Wu, Qingkun Shang.  (2024)  Synergistic Regulation of Hydrophobicity and Carrier Transport Based on Bipyridine Derivatives to Enhance the Photocatalytic Performance of Defective TiO2 for Ammonia Synthesis.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c07968]

3. Panpan Yang, Xiaoting Lu, Pengfei Huang, Kun Wu, Jun Shi.  (2026)  High thermal conductivity biphenyl-type polyester with photochromism, thermo-responsive, and shape memory performance.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41558090] [10.1016/j.jcis.2026.139887]