tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane

C28H41FN2O2Sn — CID 87548314

IUPACtributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(-c2ccc(OCCF)c(OC)c2)c2nccn2c1
InChIInChI=1S/C16H14FN2O2.3C4H9.Sn/c1-20-15-11-12(4-5-14(15)21-10-6-17)13-3-2-8-19-9-7-18-16(13)19;3*1-3-4-2;/h3-5,7-9,11H,6,10H2,1H3;3*1,3-4H2,2H3;
InChIKeyGLVXNKFECARUJU-UHFFFAOYSA-N
MW575.36 g/mol
LogP7.41
Rot. Bonds15

About tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane

tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane (PubChem CID 87548314) has the molecular formula C28H41FN2O2Sn and a molecular weight of 575.36 g/mol. Its IUPAC name is tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane.

Molecular Properties

Compound Nametributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane
PubChem CID87548314
Molecular FormulaC28H41FN2O2Sn
Molecular Weight575.36 g/mol
Exact Mass576.22
IUPAC Nametributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(-c2ccc(OCCF)c(OC)c2)c2nccn2c1
InChIInChI=1S/C16H14FN2O2.3C4H9.Sn/c1-20-15-11-12(4-5-14(15)21-10-6-17)13-3-2-8-19-9-7-18-16(13)19;3*1-3-4-2;/h3-5,7-9,11H,6,10H2,1H3;3*1,3-4H2,2H3;
InChIKeyGLVXNKFECARUJU-UHFFFAOYSA-N
XLogP7.41
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.36
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
The IUPAC name of tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane (CID 87548314) is tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane.
What is the SMILES notation for tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
The canonical SMILES for tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc(-c2ccc(OCCF)c(OC)c2)c2nccn2c1.
What is the InChIKey of tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
The InChIKey is GLVXNKFECARUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN2O2.3C4H9.Sn/c1-20-15-11-12(4-5-14(15)21-10-6-17)13-3-2-8-19-9-7-18-16(13)19;3*1-3-4-2;/h3-5,7-9,11H,6,10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane has a molecular weight of 575.36 g/mol, XLogP of 7.41, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane is sourced from PubChem (CID 87548314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).