2,6-Dichloroisonicotinamide - ≥95% , CAS No.89281-13-0

CAS: 89281-13-0 Cat. No.: D187846 Formule: C₆H₄Cl₂N₂O Poids moléculaire: 191 Numéro CE: 674-279-8

GRADE & PURITY ≥95%

Synonyms

A843108 | MFCD00052640 | SB52351 | 2,6-Dichloroisonicotinamide | SCHEMBL3281481 | AKOS009077364 | SY032124 | FT-0610615 | 2,6-Dichloro-4-pyridinecarboxamide | CFYBBFGXTQBLQV-UHFFFAOYSA-N | PS-4483 | D86224 | 2,6-dichloroisonicotinamide, AldrichCPR | AC-14

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

A843108 | MFCD00052640 | SB52351 | 2,6-Dichloroisonicotinamide | SCHEMBL3281481 | AKOS009077364 | SY032124 | FT-0610615 | 2,6-Dichloro-4-pyridinecarboxamide | CFYBBFGXTQBLQV-UHFFFAOYSA-N | PS-4483 | D86224 | 2,6-dichloroisonicotinamide, AldrichCPR | AC-14

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528755638

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755638

Sourires canoniques

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

IUPAC Name

2,6-dichloropyridine-4-carboxamide

InChIKey

CFYBBFGXTQBLQV-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

Poids moléculaire

191

Reaxy-Rn

383733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383733&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: Pyridinecarboxamides
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl chlorides 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: Pyridinecarboxamide - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 191.010 g/mol
• XLogP3: 0.900
• 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: 155.000
• 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