6-idrossi-2-metilnicotinonitrile - ≥95% , CAS No.41877-40-1

CAS: 41877-40-1 Cat. No.: H725899 Formula: C₇H₆N₂O Peso molecolare: 134.14 PubChem CID: 11378516

GRADE & PURITY ≥95%

Synonyms

2-Methyl-6-oxo-1H-pyridine-3-carbonitrile

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-Methyl-6-oxo-1H-pyridine-3-carbonitrile

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC1=C(C=CC(=O)N1)C#N

IUPAC Name

2-methyl-6-oxo-1H-pyridine-3-carbonitrile

InChIKey

BZFYYPFFELGRLN-UHFFFAOYSA-N

INCHI

1S/C7H6N2O/c1-5-6(4-8)2-3-7(10)9-5/h2-3H,1H3,(H,9,10)

Isomeri SMILES

CC1=C(C=CC(=O)N1)C#N

PubChem CID

11378516

Peso molecolare

134.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: 3-pyridinecarbonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-pyridinecarbonitriles
• Alternative Parents: Pyridinones Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Methylpyridine - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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

Proprietà chimiche e fisiche

• Peso molecolare: 134.140 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.048 Da
• Monoisotopic Mass: 134.048 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 277.000
• 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