2-Acetyl-6-bromopyridine - ≥97% , CAS No.49669-13-8

CAS: 49669-13-8 Cat. No.: A115764 Molecular Weight: 200.03 EC Number: 628-046-2

GRADE & PURITY ≥97%

Synonyms

HY-W002593 | BP-20115 | STL556613 | 2-Acetyl-6-bromopyridine, 97% | InChI=1/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H | FA-0234 | BCP21127 | RUJTWTUYVOEEFW-UHFFFAOYSA-N | SY005798 | 1-(6-bromo-pyridin-2-yl)ethanone | 1-(6-bromo-pyridin-2-yl)-ethanone | 1-

Storage

Room temperature

Shipped In

Normal

Overview

application：

2-Acetyl-6-bromopyridine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as OLED intermediate.

Specifications

Synonyms

HY-W002593 | BP-20115 | STL556613 | 2-Acetyl-6-bromopyridine, 97% | InChI=1/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H, 1H | FA-0234 | BCP21127 | RUJTWTUYVOEEFW-UHFFFAOYSA-N | SY005798 | 1-(6-bromo-pyridin-2-yl)ethanone | 1-(6-bromo-pyridin-2-yl)-ethanone | 1-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488197376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197376
• Canonical Smiles: CC(=O)C1=NC(=CC=C1)Br
• IUPAC Name: 1-(6-bromopyridin-2-yl)ethanone
• InChIKey: RUJTWTUYVOEEFW-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3
• Isomeric SMILES: CC(=O)C1=NC(=CC=C1)Br
• WGK Germany: 3
• Molecular Weight: 200.03
• Reaxy-Rn: 1447199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: 2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - 2-halopyridine - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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

Associated Targets(Human)

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol.
• Melt Point(°C): 51-55°C
• Molecular Weight: 200.030 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.963 Da
• Monoisotopic Mass: 198.963 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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