tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane

C19H32ClNSn — CID 90198690

IUPACtributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane
SMILESCCCC[Sn](/C=C/c1ccc(Cl)cn1)(CCCC)CCCC
InChIInChI=1S/C7H5ClN.3C4H9.Sn/c1-2-7-4-3-6(8)5-9-7;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyJRTXBISCROLLEG-UHFFFAOYSA-N
MW428.64 g/mol
LogP7.14
Rot. Bonds11

About tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane

tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane (PubChem CID 90198690) has the molecular formula C19H32ClNSn and a molecular weight of 428.64 g/mol. Its IUPAC name is tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane
PubChem CID90198690
Molecular FormulaC19H32ClNSn
Molecular Weight428.64 g/mol
Exact Mass429.12
IUPAC Nametributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane
SMILESCCCC[Sn](/C=C/c1ccc(Cl)cn1)(CCCC)CCCC
InChIInChI=1S/C7H5ClN.3C4H9.Sn/c1-2-7-4-3-6(8)5-9-7;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyJRTXBISCROLLEG-UHFFFAOYSA-N
XLogP7.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.64
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane (CID 90198690) is tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane is CCCC[Sn](/C=C/c1ccc(Cl)cn1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane?
The InChIKey is JRTXBISCROLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN.3C4H9.Sn/c1-2-7-4-3-6(8)5-9-7;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane?
tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane has a molecular weight of 428.64 g/mol, XLogP of 7.14, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-(5-chloro-2-pyridinyl)ethenyl]stannane is sourced from PubChem (CID 90198690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).