Pyridazine-3-carboxylic acid - ≥97% , CAS No.2164-61-6

CAS: 2164-61-6 Cat. No.: P168630 Molecular Weight: 124.1 EC Number: 688-382-0 PubChem CID: 269369

GRADE & PURITY ≥97%

Synonyms

pyridazine carboxylic acid | Z1201621268 | EC-000.1275 | 3-Pyridazinecarboxylic acid | SCHEMBL28293 | 3-PIPERIDINOBENZOICACID | PS-3253 | W-206659 | 3-Carboxypyridazine | AKOS025310185 | BB 0216421 | 5-phenyl-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidine | E

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

pyridazine carboxylic acid | Z1201621268 | EC-000.1275 | 3-Pyridazinecarboxylic acid | SCHEMBL28293 | 3-PIPERIDINOBENZOICACID | PS-3253 | W-206659 | 3-Carboxypyridazine | AKOS025310185 | BB 0216421 | 5-phenyl-1H, 2H, 3H, 5H, 6H-imidazo[1, 2-a]imidazolidine | E

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189177
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189177
• Canonical Smiles: C1=CC(=NN=C1)C(=O)O
• IUPAC Name: pyridazine-3-carboxylic acid
• InChIKey: RUUOPSRRIKJHNH-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2O2/c8-5(9)4-2-1-3-6-7-4/h1-3H,(H,8,9)
• Isomeric SMILES: C1=CC(=NN=C1)C(=O)O
• WGK Germany: 3
• PubChem CID: 269369
• Molecular Weight: 124.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: 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: Pyridazine - Heteroaromatic compound - 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 - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• 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

Associated Targets(non-human)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 195℃
• Molecular Weight: 124.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 124.027 Da
• Monoisotopic Mass: 124.027 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 116.000
• 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