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1025687-41-5 molecular structure
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2-fluoro-5-(tributylstannyl)pyridine

ChemBase ID: 64186
Molecular Formular: C17H30FNSn
Molecular Mass: 386.1262032
Monoisotopic Mass: 387.13842219
SMILES and InChIs

SMILES:
n1c(ccc([Sn](CCCC)(CCCC)CCCC)c1)F
Canonical SMILES:
CCCC[Sn](c1ccc(nc1)F)(CCCC)CCCC
InChI:
InChI=1S/C5H3FN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey:
VLMHLVKGRNNZQF-UHFFFAOYSA-N

Cite this record

CBID:64186 http://www.chembase.cn/molecule-64186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-5-(tributylstannyl)pyridine
IUPAC Traditional name
2-fluoro-5-(tributylstannyl)pyridine
Synonyms
2-Fluoro-5-(tributylstannyl)pyridine
CAS Number
1025687-41-5
MDL Number
MFCD07787406
PubChem SID
162029925
PubChem CID
16427100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16427100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4156995  LogD (pH = 7.4) 4.4157 
Log P 4.4157  Molar Refractivity 82.9642 cm3
Polarizability 36.568832 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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