Methyl 2-formylisonicotinate - ≥98% , CAS No.125104-34-9

CAS: 125104-34-9 Cat. No.: M586778 Formula: C₈H₇NO₃ Peso molecolare: 165.15

QUALITÀ & PUREZZA ≥98%

Synonyms

SY105765 | Methyl 2-formylisonicotinate | DS-3519 | FLXVRBSKKVMMQQ-UHFFFAOYSA-N | AKOS016002597 | BCP15433 | MFCD14582033 | 4-Pyridinecarboxylic acid, 2-formyl-, methyl ester | METHYL 2-FORMYLPYRIDINE-4-CARBOXYLATE | SCHEMBL582011 | Methyl2-formylisonicot

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

SY105765 | Methyl 2-formylisonicotinate | DS-3519 | FLXVRBSKKVMMQQ-UHFFFAOYSA-N | AKOS016002597 | BCP15433 | MFCD14582033 | 4-Pyridinecarboxylic acid, 2-formyl-, methyl ester | METHYL 2-FORMYLPYRIDINE-4-CARBOXYLATE | SCHEMBL582011 | Methyl2-formylisonicot

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508808484

Sorrisi canonici

COC(=O)C1=CC(=NC=C1)C=O

IUPAC Name

methyl 2-formylpyridine-4-carboxylate

InChIKey

FLXVRBSKKVMMQQ-UHFFFAOYSA-N

INCHI

1S/C8H7NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-5H,1H3

Isomeri SMILES

COC(=O)C1=CC(=NC=C1)C=O

CAS alternativo

125104-34-9

Peso molecolare

165.15

Reaxy-Rn

7916974

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7916974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Pyridine carboxaldehydes Aryl-aldehydes Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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: 165.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 165.043 Da
• Monoisotopic Mass: 165.043 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• 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