8-Bromo-6-nitroimidazo[1,2-a]pyridine, HCl - ≥98% , CAS No.957120-43-3

CAS: 957120-43-3 Cat. No.: B188821 Molecular Weight: 278.5 PubChem CID: 44118604

GRADE & PURITY ≥98%

Synonyms

8-Bromo-6-nitroimidazo[1,2-a]pyridine, HCl | 8-bromo-6-nitroimidazo[1,2-a]pyridine;hydrochloride | 8-Bromo-6-nitroimidazo[1,2-a]pyridinehydrochloride | 8-Bromo-6-nitroimidazo[1,2-a]pyridine--hydrogen chloride (1/1) | MFCD09800973 | AKOS015892424 | 8-BROMO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

8-Bromo-6-nitroimidazo[1, 2-a]pyridine, HCl | 8-bromo-6-nitroimidazo[1, 2-a]pyridine;hydrochloride | 8-Bromo-6-nitroimidazo[1, 2-a]pyridinehydrochloride | 8-Bromo-6-nitroimidazo[1, 2-a]pyridine--hydrogen chloride (1/1) | MFCD09800973 | AKOS015892424 | 8-BROMO

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CN2C=C(C=C(C2=N1)Br)[N+](=O)[O-].Cl
• IUPAC Name: 8-bromo-6-nitroimidazo[1,2-a]pyridine;hydrochloride
• InChIKey: XAUNQZNOHAPMMP-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrN3O2.ClH/c8-6-3-5(11(12)13)4-10-2-1-9-7(6)10;/h1-4H;1H
• Isomeric SMILES: C1=CN2C=C(C=C(C2=N1)Br)[N+](=O)[O-].Cl
• PubChem CID: 44118604
• Molecular Weight: 278.5

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 Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Nitroaromatic compound - Aryl bromide - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Hydrochloride - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - 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: 278.490 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 276.925 Da
• Monoisotopic Mass: 276.925 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 220.000
• 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: 2

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