5-Cloro-2-metossinicotinaldeide , CAS No.103058-88-4

CAS: 103058-88-4 Cat. No.: C165537 Formula: C₇H₆ClNO₂ Peso molecolare: 171.58 Numero EC: 114-119-1

Synonyms

EN300-2984730 | 3-Pyridinecarboxaldehyde, 5-chloro-2-methoxy- | BS-26091 | SCHEMBL5784164 | 5-chloro-2-methoxypyridine-3-carbaldehyde | E90114 | RSSYYGNBUZYVAX-UHFFFAOYSA-N | Z1198176587 | 5-Chloro-2-methoxynicotinaldehyde, AldrichCPR | 5-Chloro-2-methoxy

Storage

Temperatura ambiente

Shipped In

Normale

Specifiche

Sinonimi

EN300-2984730 | 3-Pyridinecarboxaldehyde, 5-chloro-2-methoxy- | BS-26091 | SCHEMBL5784164 | 5-chloro-2-methoxypyridine-3-carbaldehyde | E90114 | RSSYYGNBUZYVAX-UHFFFAOYSA-N | Z1198176587 | 5-Chloro-2-methoxynicotinaldehyde, AldrichCPR | 5-Chloro-2-methoxy

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Nomi e identificatori

Sorrisi canonici

COC1=C(C=C(C=N1)Cl)C=O

IUPAC Name

5-chloro-2-methoxypyridine-3-carbaldehyde

InChIKey

RSSYYGNBUZYVAX-UHFFFAOYSA-N

INCHI

1S/C7H6ClNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3

Isomeri SMILES

COC1=C(C=C(C=N1)Cl)C=O

WGK Germania

3

Peso molecolare

171.58

Reaxy-Rn

4971662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4971662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Alkyl aryl ether - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - Ether - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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: 171.580 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.009 Da
• Monoisotopic Mass: 171.009 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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