5-Bromo-2-methoxyisonicotinaldehyde - ≥98% , CAS No.936011-17-5

CAS: 936011-17-5 Cat. No.: B195929 Summenformel: C₇H₆BrNO₂ Molekulargewicht: 216.03 EG-Nummer: 865-290-0

GRADE & PURITY ≥98%

Synonyms

EN300-1268309 | 5-BROMO-2-METHOXY-PYRIDINE-4-CARBALDEHYDE | 5-bromo-2-methoxypyridine-4-carbaldehyde | 5-BROMO-2-METHOXYPYRIDINE-4-CARBOXALDEHYDE | DS-14931 | SY102929 | MFCD13181606 | 5-Bromo-2-methoxyisonicotinaldehyde, AldrichCPR | AMY32943 | 5-Bromo-2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EN300-1268309 | 5-BROMO-2-METHOXY-PYRIDINE-4-CARBALDEHYDE | 5-bromo-2-methoxypyridine-4-carbaldehyde | 5-BROMO-2-METHOXYPYRIDINE-4-CARBOXALDEHYDE | DS-14931 | SY102929 | MFCD13181606 | 5-Bromo-2-methoxyisonicotinaldehyde, AldrichCPR | AMY32943 | 5-Bromo-2

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

COC1=NC=C(C(=C1)C=O)Br

IUPAC Name

5-bromo-2-methoxypyridine-4-carbaldehyde

InChIKey

GSHIHNCXBSQCLM-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO2/c1-11-7-2-5(4-10)6(8)3-9-7/h2-4H,1H3

Isomere SMILES

COC1=NC=C(C(=C1)C=O)Br

Molekulargewicht

216.03

Reaxy-Rn

15488528

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15488528&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 Alkyl aryl ethers Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-pyridine carboxaldehyde - Alkyl aryl ether - Aryl-aldehyde - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 216.030 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.958 Da
• Monoisotopic Mass: 214.958 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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