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5-Bromo-2-(methoxycarbonylamino)pyridine - 97%, high purity , CAS No.207922-56-3
Basic Description
Synonyms
207922-56-3 | methyl (5-bromopyridin-2-yl)carbamate | 5-BROMO-2-(METHOXYCARBONYLAMINO)PYRIDINE | methyl N-(5-bromopyridin-2-yl)carbamate | TimTec1_005418 | (5-Bromo-pyridin-2-yl)-carbamic acid methyl ester | SCHEMBL5689000 | CHEMBL4889390 | DTXSID70355079 | HMS1549G06 | MFCD
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Imidolactams Aryl bromides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl bromide - Aryl halide - Pyridine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methyl N-(5-bromopyridin-2-yl)carbamate
INCHI
InChI=1S/C7H7BrN2O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,1H3,(H,9,10,11)
InChIKey
XYBRWUNZRUBCGY-UHFFFAOYSA-N
Smiles
COC(=O)NC1=NC=C(C=C1)Br
Isomeric SMILES
COC(=O)NC1=NC=C(C=C1)Br
Molecular Weight
231
Reaxy-Rn
390419
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=390419&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
231.050 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
229.969 Da
Monoisotopic Mass
229.969 Da
Topological Polar Surface Area
51.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165.000
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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