tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane

C24H35N3Sn — CID 140783416

IUPACtributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-n2ccc3ccncc32)nc1
InChIInChI=1S/C12H8N3.3C4H9.Sn/c1-2-6-14-12(3-1)15-8-5-10-4-7-13-9-11(10)15;3*1-3-4-2;/h1,3-9H;3*1,3-4H2,2H3;
InChIKeyQDMHBOXBZXBNEU-UHFFFAOYSA-N
MW484.28 g/mol
LogP6.48
Rot. Bonds11

About tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane

tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane (PubChem CID 140783416) has the molecular formula C24H35N3Sn and a molecular weight of 484.28 g/mol. Its IUPAC name is tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane.

Molecular Properties

Compound Nametributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane
PubChem CID140783416
Molecular FormulaC24H35N3Sn
Molecular Weight484.28 g/mol
Exact Mass485.19
IUPAC Nametributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-n2ccc3ccncc32)nc1
InChIInChI=1S/C12H8N3.3C4H9.Sn/c1-2-6-14-12(3-1)15-8-5-10-4-7-13-9-11(10)15;3*1-3-4-2;/h1,3-9H;3*1,3-4H2,2H3;
InChIKeyQDMHBOXBZXBNEU-UHFFFAOYSA-N
XLogP6.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.28
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane?
The IUPAC name of tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane (CID 140783416) is tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane.
What is the SMILES notation for tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane?
The canonical SMILES for tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(-n2ccc3ccncc32)nc1.
What is the InChIKey of tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane?
The InChIKey is QDMHBOXBZXBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N3.3C4H9.Sn/c1-2-6-14-12(3-1)15-8-5-10-4-7-13-9-11(10)15;3*1-3-4-2;/h1,3-9H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane?
tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane has a molecular weight of 484.28 g/mol, XLogP of 6.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane is sourced from PubChem (CID 140783416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).