Lithium 3-fluoropyridine-2-carboxylate - ≥95% , CAS No.603310-20-9

CAS: 603310-20-9 Cat. No.: L341123 Molecular Weight: 147.03 EC Number: 626-753-0

GRADE & PURITY ≥95%

Synonyms

2-Pyridinecarboxylic acid, 3-fluoro-, lithium salt | Lithium3-fluoropicolinate | SCHEMBL1461586 | LITHIUM(1+) 3-FLUOROPYRIDINE-2-CARBOXYLATE | DTXSID50635422 | AS-63810 | lithium;3-fluoropyridine-2-carboxylate | Lithium 3-fluoropyridine-2-carboxylate | FT

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Pyridinecarboxylic acid, 3-fluoro-, lithium salt | Lithium3-fluoropicolinate | SCHEMBL1461586 | LITHIUM(1+) 3-FLUOROPYRIDINE-2-CARBOXYLATE | DTXSID50635422 | AS-63810 | lithium;3-fluoropyridine-2-carboxylate | Lithium 3-fluoropyridine-2-carboxylate | FT

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [Li+].C1=CC(=C(N=C1)C(=O)[O-])F
• IUPAC Name: lithium;3-fluoropyridine-2-carboxylate
• InChIKey: POYLONJDIWUFHZ-UHFFFAOYSA-M
• INCHI: 1S/C6H4FNO2.Li/c7-4-2-1-3-8-5(4)6(9)10;/h1-3H,(H,9,10);/q;+1/p-1
• Isomeric SMILES: [Li+].C1=CC(=C(N=C1)C(=O)[O-])F
• WGK Germany: 3
• Molecular Weight: 147.03
• Reaxy-Rn: 9661656
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9661656&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aryl fluorides Vinylogous halides Heteroaromatic compounds Carboxylic acid salts Organic metal halides Organic lithium salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aryl fluoride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Organic metal halide - Carboxylic acid - Organic lithium salt - Organic alkali metal salt - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic zwitterion - Organic salt - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive;Moisture sensitive
• Boil Point(°C): > 572 °F
• Melt Point(°C): >300 °C
• Molecular Weight: 147.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 147.031 Da
• Monoisotopic Mass: 147.031 Da
• Topological Polar Surface Area: 53.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 145.000
• 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: 2

XLogP3