Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Polyhalopyridines
Alternative Parents	Methylpyridines 2-halopyridines Aryl iodides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - Methylpyridine - 2-halopyridine - Aryl iodide - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Descripción	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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

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Lot Number	Certificate Type	Fecha	Articulo
G1516041	Certificate of Analysis	Jul 17, 2023	F119656

Propiedades químicas y físicas

Punto de inflamación (°F)	>230 °F
Punto de inflamación (°C)	>110 °C
Punto de fusión (°C)	38-42°C
Peso molecular	237.010 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	236.945 Da
Monoisotopic Mass	236.945 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.100
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CC1=CC(=C(N=C1)F)I
IUPAC Name	2-fluoro-3-iodo-5-methylpyridine
InChIKey	ANOOZLFFCNANTR-UHFFFAOYSA-N
INCHI	1S/C6H5FIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
Isómeros SMILES	CC1=CC(=C(N=C1)F)I
WGK Alemania	3
Peso molecular	237.01
Reaxy-Rn	6643369
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6643369&ln=

2-fluoro-3-iodo-5-methylpyridine - ≥98% , CAS No.153034-78-7

Specifications