5-Bromo-2-fluoronicotinic acid - ≥98% , CAS No.29241-66-5

CAS: 29241-66-5 Cat. No.: B588601 Summenformel: C₆H₃BrFNO₂ Molekulargewicht: 220.00 EG-Nummer: 832-832-2

QUALITÄT & REINHEIT ≥98%

Synonyms

2-fluoro-5-bromo nicotinic acid | PB12417 | DTXSID10641049 | VUGXRWXIIOSMCF-UHFFFAOYSA-N | 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-2-FLUORO- | EN300-157432 | AM20070235 | SCHEMBL1516793 | AC-33372 | Z977029604 | BCP11547 | EF-0747 | J-516930 | 5-bromo-2-fluoro

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2-fluoro-5-bromo nicotinic acid | PB12417 | DTXSID10641049 | VUGXRWXIIOSMCF-UHFFFAOYSA-N | 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-2-FLUORO- | EN300-157432 | AM20070235 | SCHEMBL1516793 | AC-33372 | Z977029604 | BCP11547 | EF-0747 | J-516930 | 5-bromo-2-fluoro

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528756436

Kanonisches Lächeln

C1=C(C=NC(=C1C(=O)O)F)Br

IUPAC Name

5-bromo-2-fluoropyridine-3-carboxylic acid

InChIKey

VUGXRWXIIOSMCF-UHFFFAOYSA-N

INCHI

1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)

Isomere SMILES

C1=C(C=NC(=C1C(=O)O)F)Br

Alternative CAS-Nummer

29241-66-5

Molekulargewicht

220.00

Reaxy-Rn

473760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl fluorides Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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: 220.000 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 218.933 Da
• Monoisotopic Mass: 218.933 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 167.000
• 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