2-Amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide - ≥98% , CAS No.280773-17-3

CAS: 280773-17-3 Cat. No.: A588549 Peso molecular: 277.71 Número EC: 800-516-3

GRADE & PURITY ≥98%

Synonyms

SCHEMBL155078 | A856979 | DTXSID20619855 | DS-18219 | FT-0698160 | Benzamide, 2-amino-N-(5-chloro-2-pyridinyl)-5-methoxy- | 2-amino-N-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide | 2-Amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide | BCP18251 | N-(5-chlor

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL155078 | A856979 | DTXSID20619855 | DS-18219 | FT-0698160 | Benzamide, 2-amino-N-(5-chloro-2-pyridinyl)-5-methoxy- | 2-amino-N-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide | 2-Amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide | BCP18251 | N-(5-chlor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)N)C(=O)NC2=NC=C(C=C2)Cl
• IUPAC Name: 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide
• InChIKey: GCCIHZVIPXGAPR-UHFFFAOYSA-N
• INCHI: 1S/C13H12ClN3O2/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,15H2,1H3,(H,16,17,18)
• Isómeros SMILES: COC1=CC(=C(C=C1)N)C(=O)NC2=NC=C(C=C2)Cl
• Peso molecular: 277.71
• Reaxy-Rn: 14126556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14126556&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzoic acids and derivatives
• Alternative Parents: Anthranilamides Aminophenyl ethers Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organochlorides Primary amines Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Anthranilamide - Benzamide - Methoxyaniline - Aminophenyl ether - Anisole - Methoxybenzene - Benzoyl - Aniline or substituted anilines - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 277.700 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.062 Da
• Monoisotopic Mass: 277.062 Da
• Topological Polar Surface Area: 77.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 316.000
• 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