7-Bromo-1H-imidazo[4,5-c]pyridine - ≥97% , CAS No.90993-26-3

CAS: 90993-26-3 Cat. No.: B178150 Molecular Weight: 198.02 EC Number: 804-503-3

GRADE & PURITY ≥97%

Synonyms

EN300-84249 | PB28034 | AKOS006327689 | 7-BROMO-3H-IMIDAZO[4,5-C]PYRIDINE | FS-2434 | Imidazo[4,5-c]pyridine,7-bromo- | AB74555 | 7-Bromo-1H-imidazo[4,5-c]pyridine, AldrichCPR | DTXSID90555690 | SCHEMBL13765863 | AM20061612 | MFCD09834585 | J-519102 | SCH

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-84249 | PB28034 | AKOS006327689 | 7-BROMO-3H-IMIDAZO[4, 5-C]PYRIDINE | FS-2434 | Imidazo[4, 5-c]pyridine, 7-bromo- | AB74555 | 7-Bromo-1H-imidazo[4, 5-c]pyridine, AldrichCPR | DTXSID90555690 | SCHEMBL13765863 | AM20061612 | MFCD09834585 | J-519102 | SCH

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C2C(=C(C=N1)Br)N=CN2
• IUPAC Name: 7-bromo-3H-imidazo[4,5-c]pyridine
• InChIKey: UOGAFIAGSJONEX-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrN3/c7-4-1-8-2-5-6(4)10-3-9-5/h1-3H,(H,9,10)
• Isomeric SMILES: C1=C2C(=C(C=N1)Br)N=CN2
• Molecular Weight: 198.02
• Reaxy-Rn: 510470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510470&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines
      • Subclass Imidazo-[4,5-c]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Imidazo-[4,5-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo-[4,5-c]pyridines
• Alternative Parents: Pyridines and derivatives Aryl bromides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo-[4,5-c]pyridine - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazo-[4,5-c]pyridines. These are organic heterocyclic compounds containing an imidazo-[4,5-c]pyridine ring system. Imidazo-[4,5-c]pyridine consists of an imidazole ring fused to a pyridine, so that the three ring nitrogen atoms are at the 1-, 2-, and 5-position, respectively.
• 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: 198.020 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.959 Da
• Monoisotopic Mass: 196.959 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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