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2-Fluoro-4-methylpyridine-5-boronic acid - 98%, high purity , CAS No.1072944-18-3
Basic Description
Synonyms
AMY7909 | 2-Fluoro-4-methyl-5-pyridineboronicacid | 2-Fluoro-4-Methylpyridine-5-BoronicAcid | 6-Fluoro-4-methyl-3-pyridineboronic Acid | EN300-316411 | BCP10633 | F15471 | 1072944-18-3 | (6-fluoro-4-methylpyridin-3-yl)boronic acid | 2-Fluoro-4-methylpyrid
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
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 Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Methylpyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organonitrogen 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.
Names and Identifiers
Pubchem Sid
504770229
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770229
IUPAC Name
(6-fluoro-4-methylpyridin-3-yl)boronic acid
INCHI
InChI=1S/C6H7BFNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3,10-11H,1H3
InChIKey
BAVHOAIWOSIBRD-UHFFFAOYSA-N
Smiles
B(C1=CN=C(C=C1C)F)(O)O
Isomeric SMILES
B(C1=CN=C(C=C1C)F)(O)O
Molecular Weight
154.93
Reaxy-Rn
22512036
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22512036&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
154.940 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
155.055 Da
Monoisotopic Mass
155.055 Da
Topological Polar Surface Area
53.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136.000
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
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C1814057