Methyl 2-chloro-6-methoxyisonicotinate - ≥98% , CAS No.42521-10-8

CAS: 42521-10-8 Cat. No.: M589096 Formula: C₈H₈ClNO₃ Peso molecolare: 201.61 Numero EC: 670-264-5

GRADE & PURITY ≥98%

Synonyms

2-CHLORO-6-METHOXY-ISONICOTINICACIDMETHYLESTER | methyl-2-chloro-6-methoxyisonicotinate | Methyl2-chloro-6-methoxyisonicotinate | AKOS005072979 | AB04382 | methyl 2-chloro-6-methoxyisonicotinate | 3-HYDROXY-2-METHOXYFLAVONE | DTXSID00537402 | MFCD00173929

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

2-CHLORO-6-METHOXY-ISONICOTINICACIDMETHYLESTER | methyl-2-chloro-6-methoxyisonicotinate | Methyl2-chloro-6-methoxyisonicotinate | AKOS005072979 | AB04382 | methyl 2-chloro-6-methoxyisonicotinate | 3-HYDROXY-2-METHOXYFLAVONE | DTXSID00537402 | MFCD00173929

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508808240
• Sorrisi canonici: COC1=NC(=CC(=C1)C(=O)OC)Cl
• IUPAC Name: methyl 2-chloro-6-methoxypyridine-4-carboxylate
• InChIKey: DAPAXVAUEVRBGS-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClNO3/c1-12-7-4-5(8(11)13-2)3-6(9)10-7/h3-4H,1-2H3
• Isomeri SMILES: COC1=NC(=CC(=C1)C(=O)OC)Cl
• Peso molecolare: 201.61
• Reaxy-Rn: 152054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152054&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: Alkyl aryl ethers 2-halopyridines Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

• Punto di fusione (°C): 97.5°
• Peso molecolare: 201.610 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.019 Da
• Monoisotopic Mass: 201.019 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 188.000
• 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