5-Bromo-3-methoxypicolinaldehyde - ≥97% , CAS No.1087659-24-2

CAS: 1087659-24-2 Cat. No.: B165855 Molecular Weight: 216.03 EC Number: 801-998-8

GRADE & PURITY ≥97%

Synonyms

5-Bromo-3-methoxypyridine-2-carboxaldehyde | FT-0678839 | 5-Bromo-3-methoxy-pyridine-2-carbaldehyde | 5-bromo-3-methoxypyridine-2-carbaldehyde | DTXSID40670140 | EN300-2944764 | DS-7615 | 5-Bromo-3-methoxypicolinaldehyde, AldrichCPR | AMY17519 | 1087659-2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

5-Bromo-3-methoxypyridine-2-carboxaldehyde | FT-0678839 | 5-Bromo-3-methoxy-pyridine-2-carbaldehyde | 5-bromo-3-methoxypyridine-2-carbaldehyde | DTXSID40670140 | EN300-2944764 | DS-7615 | 5-Bromo-3-methoxypicolinaldehyde, AldrichCPR | AMY17519 | 1087659-2

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201176
• Canonical Smiles: COC1=C(N=CC(=C1)Br)C=O
• IUPAC Name: 5-bromo-3-methoxypyridine-2-carbaldehyde
• InChIKey: WJFAWSUSKWTMSS-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrNO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3
• Isomeric SMILES: COC1=C(N=CC(=C1)Br)C=O
• WGK Germany: 3
• Molecular Weight: 216.03
• Reaxy-Rn: 28819259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28819259&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - Alkyl aryl ether - Aryl-aldehyde - Aryl bromide - Aryl halide - Heteroaromatic compound - Ether - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Molecular Weight: 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