6-bromo-3-nitro-imidazo[1,2-a]pyridine - ≥97% , CAS No.64064-71-7

CAS: 64064-71-7 Cat. No.: B634271 Molecular Weight: 242.03 PubChem CID: 28875888

GRADE & PURITY ≥97%

Synonyms

6-Bromo-3-nitroimidazo[1,2-a]pyridine | 64064-71-7 | MFCD09864963 | SCHEMBL18766625 | AMY1702 | DTXSID50651768 | AKOS016008657 | DS-2717 | SY110205 | 3-nitro 6-bromoimidazo [1,2-a] pyridine | 6-bromo-3-nitroH-imidazo[1,2-a]pyridine | 6-bromo-3-nitroimidaz

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6-Bromo-3-nitroimidazo[1, 2-a]pyridine | 64064-71-7 | MFCD09864963 | SCHEMBL18766625 | AMY1702 | DTXSID50651768 | AKOS016008657 | DS-2717 | SY110205 | 3-nitro 6-bromoimidazo [1, 2-a] pyridine | 6-bromo-3-nitroH-imidazo[1, 2-a]pyridine | 6-bromo-3-nitroimidaz

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=NC=C(N2C=C1Br)[N+](=O)[O-]
• IUPAC Name: 6-bromo-3-nitroimidazo[1,2-a]pyridine
• InChIKey: UNZUDRAJUWZDNT-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrN3O2/c8-5-1-2-6-9-3-7(11(12)13)10(6)4-5/h1-4H
• Isomeric SMILES: C1=CC2=NC=C(N2C=C1Br)[N+](=O)[O-]
• Alternate CAS: 64064-71-7
• PubChem CID: 28875888
• Molecular Weight: 242.03

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 Nitroimidazoles Nitroaromatic compounds Pyridines and derivatives Aryl bromides N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Nitroaromatic compound - Nitroimidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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: 242.030 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 240.949 Da
• Monoisotopic Mass: 240.949 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 13
• 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: 1