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2-Fluoro-5-methyl-3-(tributylstannyl)pyridine - 95%, high purity , CAS No.1025745-87-2
Basic Description
Synonyms
2-Fluoro-5-methyl-3-(tributylstannyl)pyridine | 1025745-87-2 | tributyl-(2-fluoro-5-methylpyridin-3-yl)stannane | SCHEMBL1851761 | DTXSID80586034 | MFCD09025799 | AKOS015843118 | SY318947 | CS-0088252 | FT-0685360 | Pyridine, 2-fluoro-5-methyl-3-(tributylstannyl)- | J-509451 | 2
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
2-halopyridines
Alternative Parents
Methylpyridines Metal aryls Aryl fluorides Heteroaromatic compounds Trialkyltins Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Methylpyridine - Aryl fluoride - Aryl halide - Metal aryl - Heteroaromatic compound - Trialkyltin - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organotin compound - Organonitrogen compound - Organometallic compound - Organofluoride - Organic post-transition metal moeity - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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
tributyl-(2-fluoro-5-methylpyridin-3-yl)stannane
INCHI
InChI=1S/C6H5FN.3C4H9.Sn/c1-5-2-3-6(7)8-4-5;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;
InChIKey
MLHSJTGMZLOEIW-UHFFFAOYSA-N
Smiles
CCCC[Sn](CCCC)(CCCC)C1=C(N=CC(=C1)C)F
Isomeric SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(N=CC(=C1)C)F
Molecular Weight
400.2
Reaxy-Rn
20001755
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20001755&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
400.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
10
Exact Mass
401.154 Da
Monoisotopic Mass
401.154 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
250.000
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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