4,6-Dichloronicotinamide - ≥98% , CAS No.70593-57-6

CAS: 70593-57-6 Cat. No.: D186146 分子式: C₆H₄Cl₂N₂O 分子量: 191.02

GRADE & PURITY ≥98%

Synonyms

SY046611 | 4,6-DICHLORO-3-PYRIDINECARBOXAMIDE | 4,6-dichloro nicotinamide | AKOS005073349 | Pyridine-3-carboxamide, 4,6-dichloro- | 4,6-dichloropyridine-3-carboxamide | AC-907/30003059 | FT-0646497 | MFCD01646073 | DTXSID80344873 | AMY36919 | J-514140 | S

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

SY046611 | 4,6-DICHLORO-3-PYRIDINECARBOXAMIDE | 4,6-dichloro nicotinamide | AKOS005073349 | Pyridine-3-carboxamide, 4,6-dichloro- | 4,6-dichloropyridine-3-carboxamide | AC-907/30003059 | FT-0646497 | MFCD01646073 | DTXSID80344873 | AMY36919 | J-514140 | S

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light,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

528759530

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528759530

カノニカル・スマイル

C1=C(C(=CN=C1Cl)C(=O)N)Cl

IUPAC Name

4,6-dichloropyridine-3-carboxamide

InChIKey

IQVYHPUXNYVYFW-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2N2O/c7-4-1-5(8)10-2-3(4)6(9)11/h1-2H,(H2,9,11)

異性体SMILES

C1=C(C(=CN=C1Cl)C(=O)N)Cl

分子量

191.02

Reaxy-Rn

473768

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473768&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

• 感度: light sensitive
• 分子量: 191.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.97 Da
• Monoisotopic Mass: 189.97 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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