tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane

C25H37N3Sn — CID 86700373

IUPACtributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccc3c(cnn3C)c2)n1
InChIInChI=1S/C13H10N3.3C4H9.Sn/c1-16-13-6-5-10(8-11(13)9-15-16)12-4-2-3-7-14-12;3*1-3-4-2;/h2-6,8-9H,1H3;3*1,3-4H2,2H3;
InChIKeyAIDIDOVEBHRXGT-UHFFFAOYSA-N
MW498.30 g/mol
LogP6.69
Rot. Bonds11

About tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane

tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane (PubChem CID 86700373) has the molecular formula C25H37N3Sn and a molecular weight of 498.30 g/mol. Its IUPAC name is tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane.

Molecular Properties

Compound Nametributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane
PubChem CID86700373
Molecular FormulaC25H37N3Sn
Molecular Weight498.30 g/mol
Exact Mass499.20
IUPAC Nametributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccc3c(cnn3C)c2)n1
InChIInChI=1S/C13H10N3.3C4H9.Sn/c1-16-13-6-5-10(8-11(13)9-15-16)12-4-2-3-7-14-12;3*1-3-4-2;/h2-6,8-9H,1H3;3*1,3-4H2,2H3;
InChIKeyAIDIDOVEBHRXGT-UHFFFAOYSA-N
XLogP6.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.30
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane?
The IUPAC name of tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane (CID 86700373) is tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane.
What is the SMILES notation for tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane?
The canonical SMILES for tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccc3c(cnn3C)c2)n1.
What is the InChIKey of tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane?
The InChIKey is AIDIDOVEBHRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3.3C4H9.Sn/c1-16-13-6-5-10(8-11(13)9-15-16)12-4-2-3-7-14-12;3*1-3-4-2;/h2-6,8-9H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane?
tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane has a molecular weight of 498.30 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane is sourced from PubChem (CID 86700373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).