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Methyl 5-bromo-6-methylpicolinate - 97%, high purity , CAS No.1215860-20-0
Basic Description
Synonyms
Methyl5-bromo-6-methylpicolinate | 5-Bromo-6-methylpyridine-2-carboxylic acid methyl ester | 2-Pyridinecarboxylic acid, 5-bromo-6-methyl-, methyl ester | CS-0152811 | 1215860-20-0 | AS-50324 | DTXSID30743892 | IZHGDXUQVBDEBG-UHFFFAOYSA-N | SY108211 | MFCD
Specifications & Purity
≥97%
Storage Temp
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.
Taxonomic Classification
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
Methylpyridines Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid - Methylpyridine - Aryl bromide - Aryl halide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - 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.
Names and Identifiers
IUPAC Name
methyl 5-bromo-6-methylpyridine-2-carboxylate
INCHI
InChI=1S/C8H8BrNO2/c1-5-6(9)3-4-7(10-5)8(11)12-2/h3-4H,1-2H3
InChIKey
IZHGDXUQVBDEBG-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=N1)C(=O)OC)Br
Isomeric SMILES
CC1=C(C=CC(=N1)C(=O)OC)Br
Molecular Weight
230.06
Reaxy-Rn
21007080
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21007080&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
230.060 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
228.974 Da
Monoisotopic Mass
228.974 Da
Topological Polar Surface Area
39.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
174.000
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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