2-Fluoro-5-methylpyridine-3-boronic acid, pinacol ester - ≥95% , CAS No.1073371-96-6

CAS: 1073371-96-6 Cat. No.: F357900 Molecular Weight: 237.08

GRADE & PURITY ≥95%

Synonyms

DTXSID70660271 | 1073371-96-6 | AS-47694 | J-509461 | Z2044810318 | F15498 | 2-Fluoro-5-methylpyridine-3-boronic acid, pinacol ester | AB43451 | MFCD08063092 | 2-FLUORO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER | SCHEMBL446891 | 2-Fluoro-5-methyl-3-(4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID70660271 | 1073371-96-6 | AS-47694 | J-509461 | Z2044810318 | F15498 | 2-Fluoro-5-methylpyridine-3-boronic acid, pinacol ester | AB43451 | MFCD08063092 | 2-FLUORO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER | SCHEMBL446891 | 2-Fluoro-5-methyl-3-(4

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504770467
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770467
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2F)C
• IUPAC Name: 2-fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• InChIKey: VQBAQPBHXGGKBZ-UHFFFAOYSA-N
• INCHI: 1S/C12H17BFNO2/c1-8-6-9(10(14)15-7-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2F)C
• Molecular Weight: 237.08
• Reaxy-Rn: 23408939
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23408939&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Methylpyridines Aryl fluorides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Methylpyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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: 237.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 237.134 Da
• Monoisotopic Mass: 237.134 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 282.000
• 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

XLogP3