5-Bromo-2-fluoropyridine-3-carboxaldehyde - ≥95% , CAS No.875781-15-0

CAS: 875781-15-0 Cat. No.: B136504 Molecular Weight: 204 Beilstein Registry Number: 14515665 EC Number: 640-566-1

GRADE & PURITY ≥95%

Synonyms

Q-101260 | SY016108 | 5-BROMO-2-FLUOROPYRIDINE-3-CARBOXALDEHYDE | SB00007 | 5-Bromo-2-fluoro-pyridine-3-carbaldehyde | 5-bromo-2-fluoropyridine-3-carbaldehyde | SCHEMBL741314 | AM20061819 | PS-8160 | 5-bromo-2-fluoronicotinaldehyde | BCP31457 | FT-0660367

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Q-101260 | SY016108 | 5-BROMO-2-FLUOROPYRIDINE-3-CARBOXALDEHYDE | SB00007 | 5-Bromo-2-fluoro-pyridine-3-carbaldehyde | 5-bromo-2-fluoropyridine-3-carbaldehyde | SCHEMBL741314 | AM20061819 | PS-8160 | 5-bromo-2-fluoronicotinaldehyde | BCP31457 | FT-0660367

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770590
• Canonical Smiles: C1=C(C=NC(=C1C=O)F)Br
• IUPAC Name: 5-bromo-2-fluoropyridine-3-carbaldehyde
• InChIKey: MUYVOGAJRCBWCY-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
• Isomeric SMILES: C1=C(C=NC(=C1C=O)F)Br
• Molecular Weight: 204
• Beilstein: 14515665
• Reaxy-Rn: 14515665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14515665&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: Polyhalopyridines Aryl-aldehydes 2-halopyridines Aryl fluorides Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - 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

• Molecular Weight: 204.000 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.938 Da
• Monoisotopic Mass: 202.938 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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