Methyl 3-chloropicolinate - ≥98% , CAS No.116383-98-3

CAS: 116383-98-3 Cat. No.: M179772 分子式: C₇H₆ClNO₂ 分子量: 171.58 EC番号: 836-977-2

GRADE & PURITY ≥98%

Synonyms

Methyl3-chloropicolinate | J-003434 | STL556095 | SY007415 | AMY1766 | methyl chloropicolinate | 2-Pyridinecarboxylic acid, 3-chloro-, methyl ester | METHYL 3-CHLOROPYRIDINE-2-CARBOXYLATE | BBL102296 | CL0358 | MFCD09750958 | AKOS006329222 | EN300-196120

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Methyl3-chloropicolinate | J-003434 | STL556095 | SY007415 | AMY1766 | methyl chloropicolinate | 2-Pyridinecarboxylic acid, 3-chloro-, methyl ester | METHYL 3-CHLOROPYRIDINE-2-CARBOXYLATE | BBL102296 | CL0358 | MFCD09750958 | AKOS006329222 | EN300-196120

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

528758669

カノニカル・スマイル

COC(=O)C1=C(C=CC=N1)Cl

IUPAC Name

methyl 3-chloropyridine-2-carboxylate

InChIKey

QRLHANNSPRAJFN-UHFFFAOYSA-N

INCHI

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

異性体SMILES

COC(=O)C1=C(C=CC=N1)Cl

分子量

171.58

Reaxy-Rn

7633666

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7633666&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aryl chloride - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 171.580 g/mol
• XLogP3: 1.700
• 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: 151.000
• 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