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Ethyl 6-amino-3-bromopicolinate - 98%, high purity , CAS No.1214332-35-0
Basic Description
Synonyms
Ethyl 6-amino-3-bromopicolinate | 1214332-35-0 | ethyl 6-amino-3-bromopyridine-2-carboxylate | MFCD13182435 | 2-Pyridinecarboxylic acid, 6-amino-3-bromo-, ethyl ester | Ethyl6-amino-3-bromopicolinate | SCHEMBL1269540 | DTXSID60716635 | AKOS015854649 | BS-20919 | SY291485 | CS-
Specifications & Purity
≥98%
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
Aminopyridines and derivatives Imidolactams Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid - Aminopyridine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Primary amine - 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
ethyl 6-amino-3-bromopyridine-2-carboxylate
INCHI
InChI=1S/C8H9BrN2O2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3,(H2,10,11)
InChIKey
WCFSXWLYTRSYEV-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(C=CC(=N1)N)Br
Isomeric SMILES
CCOC(=O)C1=C(C=CC(=N1)N)Br
Molecular Weight
245.1
Reaxy-Rn
14531850
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14531850&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
245.070 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
243.985 Da
Monoisotopic Mass
243.985 Da
Topological Polar Surface Area
65.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
189.000
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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