GRADE & PURITY ≥96%

Synonyms

MFCD08056674 | P10538 | Irganox-1019 | A871023 | 8-nitro-Imidazo[1,2-a]pyridine | 8-nitroimidazo[1,2-a]pyridine | SY278902 | 8Z-0801 | EN300-1615384 | PB30990 | FXGFBWQPMINBNG-UHFFFAOYSA-N | 8-Nitro-imidazo(1,2-a)pyridine | AKOS005071382 | J-519468 | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD08056674 | P10538 | Irganox-1019 | A871023 | 8-nitro-Imidazo[1, 2-a]pyridine | 8-nitroimidazo[1, 2-a]pyridine | SY278902 | 8Z-0801 | EN300-1615384 | PB30990 | FXGFBWQPMINBNG-UHFFFAOYSA-N | 8-Nitro-imidazo(1, 2-a)pyridine | AKOS005071382 | J-519468 | DTXS

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504759436
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759436
• Canonical Smiles: C1=CN2C=CN=C2C(=C1)[N+](=O)[O-]
• IUPAC Name: 8-nitroimidazo[1,2-a]pyridine
• InChIKey: FXGFBWQPMINBNG-UHFFFAOYSA-N
• INCHI: 1S/C7H5N3O2/c11-10(12)6-2-1-4-9-5-3-8-7(6)9/h1-5H
• Isomeric SMILES: C1=CN2C=CN=C2C(=C1)[N+](=O)[O-]
• Molecular Weight: 163.1
• Reaxy-Rn: 957722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=957722&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 Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Imidazo[1,2-a]pyridine - Nitroaromatic compound - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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: 163.130 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.038 Da
• Monoisotopic Mass: 163.038 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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