Ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate - ≥97% , CAS No.38923-08-9

CAS: 38923-08-9 Cat. No.: E193149 Molecular Weight: 235.2 EC Number: 822-303-4

GRADE & PURITY ≥97%

Synonyms

EN300-178712 | ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate | Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-nitro-, ethyl ester | MC-0770 | Z82175951 | FT-0681971 | AKOS015833313 | AM20061782 | AC-9285 | SCHEMBL3776760 | MFCD05864803 | 6-Nitroimidazo[1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

EN300-178712 | ethyl 6-nitroimidazo[1, 2-a]pyridine-2-carboxylate | Imidazo[1, 2-a]pyridine-2-carboxylic acid, 6-nitro-, ethyl ester | MC-0770 | Z82175951 | FT-0681971 | AKOS015833313 | AM20061782 | AC-9285 | SCHEMBL3776760 | MFCD05864803 | 6-Nitroimidazo[1

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CN2C=C(C=CC2=N1)[N+](=O)[O-]
• IUPAC Name: ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate
• InChIKey: XOXFLWMGZPJKAF-UHFFFAOYSA-N
• INCHI: 1S/C10H9N3O4/c1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8/h3-6H,2H2,1H3
• Isomeric SMILES: CCOC(=O)C1=CN2C=C(C=CC2=N1)[N+](=O)[O-]
• Molecular Weight: 235.2
• Reaxy-Rn: 887193
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=887193&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 Nitroaromatic compounds Carbonylimidazoles Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Imidazo[1,2-a]pyridine - Nitroaromatic compound - Imidazole-4-carbonyl group - N-substituted imidazole - Pyridine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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: 235.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.059 Da
• Monoisotopic Mass: 235.059 Da
• Topological Polar Surface Area: 89.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 317.000
• 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