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3-(pyridin-4-yl)phenylboronic acid - 97%, high purity , CAS No.337536-25-1
Basic Description
Synonyms
(3-(Pyridin-4-yl)phenyl)boronicacid | D71840 | AKOS027323206 | (3-pyridin-4-ylphenyl)boronic acid | [3-(pyridin-4-yl)phenyl]boronic acid | SCHEMBL3566954 | 3-pyridin-4-yl-benzeneboronic acid | EN300-7436866 | Z1255390358 | MNLSLPDPQOGLHD-UHFFFAOYSA-N | 3-
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Benzene and substituted derivatives Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organoboron compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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
IUPAC Name
(3-pyridin-4-ylphenyl)boronic acid
INCHI
InChI=1S/C11H10BNO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8,14-15H
InChIKey
MNLSLPDPQOGLHD-UHFFFAOYSA-N
Smiles
B(C1=CC(=CC=C1)C2=CC=NC=C2)(O)O
Isomeric SMILES
B(C1=CC(=CC=C1)C2=CC=NC=C2)(O)O
Alternate CAS
337536-25-1
PubChem CID
60209378
Molecular Weight
199.02
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
199.020 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
199.08 Da
Monoisotopic Mass
199.08 Da
Topological Polar Surface Area
53.400 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
195.000
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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