Name: 4-Bromo-3-fluoro-2-methoxypyridine - ≥95% , CAS No.1227599-41-8
Brand: Aladdin Scientific
SKU: B586698
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Polyhalopyridines
Alternative Parents	Alkyl aryl ethers Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - Alkyl aryl ether - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Ether - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.010 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	204.954 Da
Monoisotopic Mass	204.954 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114.000
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

Solution Calculators

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Reviews

Canonical Smiles	COC1=NC=CC(=C1F)Br
IUPAC Name	4-bromo-3-fluoro-2-methoxypyridine
InChIKey	NYMSNXYJKHEMCQ-UHFFFAOYSA-N
INCHI	1S/C6H5BrFNO/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,1H3
Isomeric SMILES	COC1=NC=CC(=C1F)Br
Molecular Weight	206.01
Reaxy-Rn	36275833
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36275833&ln=

4-Bromo-3-fluoro-2-methoxypyridine - ≥95% , CAS No.1227599-41-8

Specifications