Ethyl 2-(6-bromo-imidazo[1,2-a]pyridin-3-yl)acetate - ≥97% , CAS No.603311-76-8

CAS: 603311-76-8 Cat. No.: E185507 Molecular Weight: 283.1

GRADE & PURITY ≥97%

Synonyms

603311-76-8|Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate|ETHYL 2-(6-BROMOH-IMIDAZO[1,2-A]PYRIDIN-3-YL)ACETATE|ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate|Ethyl 2-(6-bromo-imidazo[1,2-a]pyridin-3-yl)acetate|ETHYL 6-BROMOIMIDAZO[1,2-A]PYRIDINE-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

603311-76-8 | Ethyl 2-(6-bromoimidazo[1, 2-a]pyridin-3-yl)acetate | ETHYL 2-(6-BROMOH-IMIDAZO[1, 2-A]PYRIDIN-3-YL)ACETATE | ethyl 2-{6-bromoimidazo[1, 2-a]pyridin-3-yl}acetate | Ethyl 2-(6-bromo-imidazo[1, 2-a]pyridin-3-yl)acetate | ETHYL 6-BROMOIMIDAZO[1, 2-A]PYRIDINE-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201377
• Canonical Smiles: CCOC(=O)CC1=CN=C2N1C=C(C=C2)Br
• IUPAC Name: ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate
• InChIKey: NXSULFYVLBGQDA-UHFFFAOYSA-N
• INCHI: 1S/C11H11BrN2O2/c1-2-16-11(15)5-9-6-13-10-4-3-8(12)7-14(9)10/h3-4,6-7H,2,5H2,1H3
• Isomeric SMILES: CCOC(=O)CC1=CN=C2N1C=C(C=C2)Br
• Molecular Weight: 283.1
• Reaxy-Rn: 14281201
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14281201&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Aryl bromide - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Chemical and Physical Properties

• Molecular Weight: 283.120 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282 Da
• Monoisotopic Mass: 282 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• 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