4-Methoxypicolinonitrile - ≥98% , CAS No.36057-44-0

CAS: 36057-44-0 Cat. No.: M184013 Formule: C₇H₆N₂O Poids moléculaire: 134.1 Numéro CE: 692-242-4

GRADE & PURITY ≥98%

Synonyms

FT-0698316 | 4-Methoxypicolinonitrile | SY003217 | PWGGPHUKKQTXAY-UHFFFAOYSA-N | Z1041141324 | 4-Methoxypyridine-2-carbonitrile | J-515676 | AS-5506 | SB52645 | AKOS012233597 | 2-Pyridinecarbonitrile, 4-methoxy- | 2-Cyano-4-methoxypyridine | 2-Cyano4-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0698316 | 4-Methoxypicolinonitrile | SY003217 | PWGGPHUKKQTXAY-UHFFFAOYSA-N | Z1041141324 | 4-Methoxypyridine-2-carbonitrile | J-515676 | AS-5506 | SB52645 | AKOS012233597 | 2-Pyridinecarbonitrile, 4-methoxy- | 2-Cyano-4-methoxypyridine | 2-Cyano4-meth

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504767397

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767397

Sourires canoniques

COC1=CC(=NC=C1)C#N

IUPAC Name

4-methoxypyridine-2-carbonitrile

InChIKey

PWGGPHUKKQTXAY-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

COC1=CC(=NC=C1)C#N

Poids moléculaire

134.1

Reaxy-Rn

471994

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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: 134.140 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 134.048 Da
• Monoisotopic Mass: 134.048 Da
• Topological Polar Surface Area: 45.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 149.000
• 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