ethyl 1-bromoimidazo[1,5-a]pyridine-3-carboxylate - ≥97% , CAS No.885276-59-5

CAS: 885276-59-5 Cat. No.: E634913 Molecular Weight: 269.09 EC Number: 992-597-8

GRADE & PURITY ≥97%

Synonyms

1-BROMO-IMIDAZO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER | AS-39507 | Ethyl 1-bromoimidazo[1,5-a]pyridine-3-carboxylate | MFCD06739184 | A861967 | Imidazo[1,5-a]pyridine-3-carboxylic acid,1-bromo-,ethyl ester | DTXSID20693079 | Ethyl1-bromoimidazo[1,5

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

1-BROMO-IMIDAZO[1, 5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER | AS-39507 | Ethyl 1-bromoimidazo[1, 5-a]pyridine-3-carboxylate | MFCD06739184 | A861967 | Imidazo[1, 5-a]pyridine-3-carboxylic acid, 1-bromo-, ethyl ester | DTXSID20693079 | Ethyl1-bromoimidazo[1, 5

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

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=NC(=C2N1C=CC=C2)Br
• IUPAC Name: ethyl 1-bromoimidazo[1,5-a]pyridine-3-carboxylate
• InChIKey: IMZDSBVUTOUBSJ-UHFFFAOYSA-N
• INCHI: 1S/C10H9BrN2O2/c1-2-15-10(14)9-12-8(11)7-5-3-4-6-13(7)9/h3-6H,2H2,1H3
• Isomeric SMILES: CCOC(=O)C1=NC(=C2N1C=CC=C2)Br
• Alternate CAS: 885276-59-5
• Molecular Weight: 269.09

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: Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Aryl bromide - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - 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

• Sensitivity: light sensitive
• Molecular Weight: 269.090 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.985 Da
• Monoisotopic Mass: 267.985 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 250.000
• 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