4-Hydroxypicolinonitrile - ≥96% , CAS No.475057-86-4

CAS: 475057-86-4 Cat. No.: H193515 Formula: C₆H₄N₂O Peso molecolare: 120.11 Numero EC: 823-179-4 PubChem CID: 22063713

GRADE & PURITY ≥96%

Synonyms

AC-23442 | C75263 | F2108-0073 | SCHEMBL451670 | 4-HYDROXY-2-PYRIDINECARBONITRILE | 2-Cyano-4-hydroxypyridine | BB 0261277 | AM1022 | FT-0745694 | 4-HYDROXYPYRIDINE-2-CARBONITRILE | DS-18014 | A852402 | AKOS005199079 | EN300-1241216 | 4-Hydroxypicolinonit

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AC-23442 | C75263 | F2108-0073 | SCHEMBL451670 | 4-HYDROXY-2-PYRIDINECARBONITRILE | 2-Cyano-4-hydroxypyridine | BB 0261277 | AM1022 | FT-0745694 | 4-HYDROXYPYRIDINE-2-CARBONITRILE | DS-18014 | A852402 | AKOS005199079 | EN300-1241216 | 4-Hydroxypicolinonit

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Sorrisi canonici: C1=CNC(=CC1=O)C#N
• IUPAC Name: 4-oxo-1H-pyridine-2-carbonitrile
• InChIKey: ICOWSSBPPBHNCA-UHFFFAOYSA-N
• INCHI: 1S/C6H4N2O/c7-4-5-3-6(9)1-2-8-5/h1-3H,(H,8,9)
• Isomeri SMILES: C1=CNC(=CC1=O)C#N
• PubChem CID: 22063713
• Peso molecolare: 120.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyridines
• Alternative Parents: Vinylogous amides Heteroaromatic compounds Cyclic ketones Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 120.110 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.032 Da
• Monoisotopic Mass: 120.032 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 241.000
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 475057-86-4, the molecular formula is C6H4N2O, and the molecular weight is 120.11 g/mol. InChIKey ICOWSSBPPBHNCA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.