Ethyl 3-(2-amino-5-bromo-3-pyridyl)acrylate - ≥98% , CAS No.227963-57-7

CAS: 227963-57-7 Cat. No.: E124741 Peso molecular: 192.21

GRADE & PURITY ≥98%

Synonyms

AC-23299 | DTXSID20590312 | (E)-3-(6-Aminopyridin-3-yl)-2-propenoic acid ethyl ester | (E)-ethyl3-(6-aminopyridin-3-yl)acrylate | 3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester, AldrichCPR | ETHYL 3-(6-AMINOPYRIDIN-3-YL)PROP-2-ENOATE | 3-(6-Amino-pyrid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-23299 | DTXSID20590312 | (E)-3-(6-Aminopyridin-3-yl)-2-propenoic acid ethyl ester | (E)-ethyl3-(6-aminopyridin-3-yl)acrylate | 3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester, AldrichCPR | ETHYL 3-(6-AMINOPYRIDIN-3-YL)PROP-2-ENOATE | 3-(6-Amino-pyrid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768603
• Sonrisas canónicas: CCOC(=O)C=CC1=CN=C(C=C1)N
• IUPAC Name: ethyl (E)-3-(6-aminopyridin-3-yl)prop-2-enoate
• InChIKey: GXLHWGSBMOMMOD-GQCTYLIASA-N
• INCHI: 1S/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)/b6-4+
• Isómeros SMILES: CCOC(=O)/C=C/C1=CN=C(C=C1)N
• Peso molecular: 192.21
• Reaxy-Rn: 20558159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20558159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Fatty acid esters Imidolactams Heteroaromatic compounds Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Fatty acid ester - Fatty acyl - Imidolactam - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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: 192.210 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 192.09 Da
• Monoisotopic Mass: 192.09 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 216.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1