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5-(2,4-Dimethylphenyl)picolinic acid - 97%, high purity , CAS No.1226037-84-8
Discover 5-(2,4-Dimethylphenyl)picolinic acid by Aladdin Scientific in 97% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(2,4-Dimethylphenyl)picolinic acid | 1226037-84-8 | 5-(2,4-dimethylphenyl)pyridine-2-carboxylic acid | 5-(2,4-Dimethylphenyl)picolinicacid | DTXSID10680751 | BZB03784 | MFCD16314266 | AKOS012257485 | SB55326 | BS-21280 | CS-0442702 | A891089 | 2-Pyridinecarboxylic acid, 5-(2,4
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
Pyridinecarboxylic acids m-Xylenes Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Xylene - M-xylene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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
5-(2,4-dimethylphenyl)pyridine-2-carboxylic acid
INCHI
InChI=1S/C14H13NO2/c1-9-3-5-12(10(2)7-9)11-4-6-13(14(16)17)15-8-11/h3-8H,1-2H3,(H,16,17)
InChIKey
XMGLKUXHZFHPPO-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1)C2=CN=C(C=C2)C(=O)O)C
Isomeric SMILES
CC1=CC(=C(C=C1)C2=CN=C(C=C2)C(=O)O)C
Molecular Weight
227.3
Reaxy-Rn
29082210
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29082210&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
227.260 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
227.095 Da
Monoisotopic Mass
227.095 Da
Topological Polar Surface Area
50.200 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
279.000
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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