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methyl 6-bromo-5-chloropyridine-2-carboxylate - 97%, high purity , CAS No.1214324-91-0
Basic Description
Synonyms
1214324-91-0 | Methyl 6-bromo-5-chloropicolinate | methyl 6-bromo-5-chloropyridine-2-carboxylate | MFCD14698099 | 6-Bromo-5-chloro-2-pyridinecarboxylic Acid Methyl Ester | SCHEMBL15972630 | Methyl6-bromo-5-chloropicolinate | BS-14578 | SY070853 | CS-01507
Specifications & Purity
≥97%
Shipped In
Normal
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
Polyhalopyridines 2-halopyridines Aryl chlorides Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - 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 6-bromo-5-chloropyridine-2-carboxylate
INCHI
InChI=1S/C7H5BrClNO2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,1H3
InChIKey
BXCLCDRWEDVROS-UHFFFAOYSA-N
Smiles
COC(=O)C1=NC(=C(C=C1)Cl)Br
Isomeric SMILES
COC(=O)C1=NC(=C(C=C1)Cl)Br
PubChem CID
46311191
Molecular Weight
250.48
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
250.480 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
248.919 Da
Monoisotopic Mass
248.919 Da
Topological Polar Surface Area
39.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
179.000
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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