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3-Bromo-6-methoxypicolinic acid - 97%, high purity , CAS No.1196147-56-4
Basic Description
Synonyms
3-Bromo-6-methoxypicolinic acid | 1196147-56-4 | 3-Bromo-6-methoxypyridine-2-carboxylic acid | 2-Pyridinecarboxylic acid, 3-bromo-6-methoxy- | 3-Bromo-6-methoxypicolinicacid | 3-Bromo-6-methoxy-pyridine-2-carboxylic acid | SCHEMBL19206992 | DTXSID90704722 | AMY39664 | WXB1
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
Alkyl aryl ethers Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid - Alkyl aryl ether - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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
3-bromo-6-methoxypyridine-2-carboxylic acid
INCHI
InChI=1S/C7H6BrNO3/c1-12-5-3-2-4(8)6(9-5)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
DJLLBSHGCMLODW-UHFFFAOYSA-N
Smiles
COC1=NC(=C(C=C1)Br)C(=O)O
Isomeric SMILES
COC1=NC(=C(C=C1)Br)C(=O)O
Molecular Weight
232
Reaxy-Rn
31704861
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31704861&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
232.030 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
230.953 Da
Monoisotopic Mass
230.953 Da
Topological Polar Surface Area
59.400 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
176.000
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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