tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane

C22H33ClN2Sn — CID 15362141

IUPACtributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClN2.3C4H9.Sn/c11-9-5-3-8(4-6-9)10-2-1-7-12-13-10;3*1-3-4-2;/h1,3-7H;3*1,3-4H2,2H3;
InChIKeyYXAKDPCDGKQDDE-UHFFFAOYSA-N
MW479.68 g/mol
LogP6.85
Rot. Bonds11

About tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane

tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane (PubChem CID 15362141) has the molecular formula C22H33ClN2Sn and a molecular weight of 479.68 g/mol. Its IUPAC name is tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane
PubChem CID15362141
Molecular FormulaC22H33ClN2Sn
Molecular Weight479.68 g/mol
Exact Mass480.14
IUPAC Nametributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClN2.3C4H9.Sn/c11-9-5-3-8(4-6-9)10-2-1-7-12-13-10;3*1-3-4-2;/h1,3-7H;3*1,3-4H2,2H3;
InChIKeyYXAKDPCDGKQDDE-UHFFFAOYSA-N
XLogP6.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.68
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane?
The IUPAC name of tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane (CID 15362141) is tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane.
What is the SMILES notation for tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane?
The canonical SMILES for tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccnnc1-c1ccc(Cl)cc1.
What is the InChIKey of tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane?
The InChIKey is YXAKDPCDGKQDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN2.3C4H9.Sn/c11-9-5-3-8(4-6-9)10-2-1-7-12-13-10;3*1-3-4-2;/h1,3-7H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane?
tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane has a molecular weight of 479.68 g/mol, XLogP of 6.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane is sourced from PubChem (CID 15362141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).