3-Hydroxyisonicotinonitrile - ≥98% , CAS No.87032-82-4

CAS: 87032-82-4 Cat. No.: H590427 Formule: C₆H₄N₂O Poids moléculaire: 120.11 Numéro CE: 827-228-0

GRADE & PURITY ≥98%

Synonyms

SCHEMBL191406 | DTXSID80514034 | DS-4108 | 3-Hydroxyisonicotinonitrile | MFCD13175206 | WHPBWFPVRFLVMZ-UHFFFAOYSA-N | FT-0689994 | Z1255404294 | AKOS005199116 | AT12828 | EN300-119042 | 4-PYRIDINECARBONITRILE, 3-HYDROXY- | 3-Hydroxypyridine-4-carbonitrile

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL191406 | DTXSID80514034 | DS-4108 | 3-Hydroxyisonicotinonitrile | MFCD13175206 | WHPBWFPVRFLVMZ-UHFFFAOYSA-N | FT-0689994 | Z1255404294 | AKOS005199116 | AT12828 | EN300-119042 | 4-PYRIDINECARBONITRILE, 3-HYDROXY- | 3-Hydroxypyridine-4-carbonitrile

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528759215
• Sourires canoniques: C1=CN=CC(=C1C#N)O
• IUPAC Name: 3-hydroxypyridine-4-carbonitrile
• InChIKey: WHPBWFPVRFLVMZ-UHFFFAOYSA-N
• INCHI: 1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H
• Isomères SMILES: C1=CN=CC(=C1C#N)O
• Poids moléculaire: 120.11
• Reaxy-Rn: 6190563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6190563&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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

Propriétés chimiques et physiques

• Poids moléculaire: 120.110 g/mol
• XLogP3: 0.700
• 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: 56.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 137.000
• 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