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405556-97-0 molecular structure
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2-chloro-3-fluoro-5-(tributylstannyl)pyridine

ChemBase ID: 64846
Molecular Formular: C17H29ClFNSn
Molecular Mass: 420.5712632
Monoisotopic Mass: 421.09944983
SMILES and InChIs

SMILES:
c1(c(ncc(c1)[Sn](CCCC)(CCCC)CCCC)Cl)F
Canonical SMILES:
CCCC[Sn](c1cnc(c(c1)F)Cl)(CCCC)CCCC
InChI:
InChI=1S/C5H2ClFN.3C4H9.Sn/c6-5-4(7)2-1-3-8-5;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;
InChIKey:
RVWINZZAKLQMEB-UHFFFAOYSA-N

Cite this record

CBID:64846 http://www.chembase.cn/molecule-64846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-fluoro-5-(tributylstannyl)pyridine
IUPAC Traditional name
2-chloro-3-fluoro-5-(tributylstannyl)pyridine
Synonyms
2-Chloro-3-fluoro-5-(tributylstannyl)pyridine
CAS Number
405556-97-0
MDL Number
MFCD12827556
PubChem SID
162030585
PubChem CID
46839941

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 46839941 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8471994  LogD (pH = 7.4) 4.8472 
Log P 4.8472  Molar Refractivity 87.8156 cm3
Polarizability 38.59341 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
94% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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