2-Bromo-3-pyridinecarboxaldehyde - ≥97% , CAS No.128071-75-0

CAS: 128071-75-0 Cat. No.: B107726 Summenformel: C₆H₄BrNO Molekulargewicht: 186.01 EG-Nummer: 629-308-9

GRADE & PURITY ≥97%

Synonyms

2-Bromo-3-formylpyridine | 2-Bromopyridine-3-carboxaldehyde | 2-Bromo-3-pyridinecarboxaldehyde, 96% | STK893223 | bromo-3-pyridine carbaldehyde | 3-PYRIDINECARBOXALDEHYDE, 2-BROMO- | A805779 | W-205290 | 2-bromo-3-pyrdinecarboxaldehyde | FT-0649117 | SCHE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-Bromo-3-formylpyridine | 2-Bromopyridine-3-carboxaldehyde | 2-Bromo-3-pyridinecarboxaldehyde, 96% | STK893223 | bromo-3-pyridine carbaldehyde | 3-PYRIDINECARBOXALDEHYDE, 2-BROMO- | A805779 | W-205290 | 2-bromo-3-pyrdinecarboxaldehyde | FT-0649117 | SCHE

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194974

Kanonisches Lächeln

C1=CC(=C(N=C1)Br)C=O

IUPAC Name

2-bromopyridine-3-carbaldehyde

InChIKey

GNFWMEFWZWXLIN-UHFFFAOYSA-N

INCHI

1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H

Isomere SMILES

C1=CC(=C(N=C1)Br)C=O

WGK Deutschland

3

Molekulargewicht

186.01

Reaxy-Rn

3537244

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3537244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes 2-halopyridines Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - 2-halopyridine - Aryl-aldehyde - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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

Zugehörige Ziele (menschlich)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (162 Activities)

Discover Target: TRIM33

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Siedepunkt (°C): 100°C
• Schmelzpunkt (°C): 73°C
• Molekulargewicht: 186.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.948 Da
• Monoisotopic Mass: 184.948 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• 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