Ethyl 4-chloro-5-methylpicolinate - ≥97% , CAS No.1261739-13-2

CAS: 1261739-13-2 Cat. No.: E190393 Formula: C₉H₁₀ClNO₂ Peso molecolare: 199.63

GRADE & PURITY ≥97%

Synonyms

A889615 | SCHEMBL17439991 | 2-Pyridinecarboxylic acid, 4-chloro-5-methyl-, ethyl ester | 1261739-13-2 | AKOS022172456 | s10355 | YWSZVSFVKKLKOU-UHFFFAOYSA-N | MFCD18416520 | Ethyl 4-chloro-5-methylpicolinate | DTXSID00856781 | Ethyl4-chloro-5-methylpicoli

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A889615 | SCHEMBL17439991 | 2-Pyridinecarboxylic acid, 4-chloro-5-methyl-, ethyl ester | 1261739-13-2 | AKOS022172456 | s10355 | YWSZVSFVKKLKOU-UHFFFAOYSA-N | MFCD18416520 | Ethyl 4-chloro-5-methylpicolinate | DTXSID00856781 | Ethyl4-chloro-5-methylpicoli

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)C1=NC=C(C(=C1)Cl)C

IUPAC Name

ethyl 4-chloro-5-methylpyridine-2-carboxylate

InChIKey

YWSZVSFVKKLKOU-UHFFFAOYSA-N

INCHI

1S/C9H10ClNO2/c1-3-13-9(12)8-4-7(10)6(2)5-11-8/h4-5H,3H2,1-2H3

Isomeri SMILES

CCOC(=O)C1=NC=C(C(=C1)Cl)C

Peso molecolare

199.63

Reaxy-Rn

29110523

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29110523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxylic acids
          • Level6 Pyridine-2-carboxylic acids
            • Level7 5-alkyl-2-carboxypyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
• Direct Parent: 5-alkyl-2-carboxypyrimidines
• Alternative Parents: Methylpyridines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-alkyl-2-carboxypyrimidine - Methylpyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
• 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: 199.630 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.04 Da
• Monoisotopic Mass: 199.04 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1261739-13-2, the molecular formula is C9H10ClNO2, and the molecular weight is 199.63 g/mol. InChIKey YWSZVSFVKKLKOU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.