trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide

C16H24Br2N2O3Si — CID 173313432

IUPACtrimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide
SMILESBr.Br.CCC(c1cnccc1-c1ccncc1)[Si](OC)(OC)OC
InChIInChI=1S/C16H22N2O3Si.2BrH/c1-5-16(22(19-2,20-3)21-4)15-12-18-11-8-14(15)13-6-9-17-10-7-13;;/h6-12,16H,5H2,1-4H3;2*1H
InChIKeyQJAIFFOUEPMUKQ-UHFFFAOYSA-N
MW480.27 g/mol
LogP4.21
Rot. Bonds7

About trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide

trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide (PubChem CID 173313432) has the molecular formula C16H24Br2N2O3Si and a molecular weight of 480.27 g/mol. Its IUPAC name is trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide.

Molecular Properties

Compound Nametrimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide
PubChem CID173313432
Molecular FormulaC16H24Br2N2O3Si
Molecular Weight480.27 g/mol
Exact Mass477.99
IUPAC Nametrimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide
SMILESBr.Br.CCC(c1cnccc1-c1ccncc1)[Si](OC)(OC)OC
InChIInChI=1S/C16H22N2O3Si.2BrH/c1-5-16(22(19-2,20-3)21-4)15-12-18-11-8-14(15)13-6-9-17-10-7-13;;/h6-12,16H,5H2,1-4H3;2*1H
InChIKeyQJAIFFOUEPMUKQ-UHFFFAOYSA-N
XLogP4.21
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.27
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide?
The IUPAC name of trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide (CID 173313432) is trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide.
What is the SMILES notation for trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide?
The canonical SMILES for trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide is Br.Br.CCC(c1cnccc1-c1ccncc1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide?
The InChIKey is QJAIFFOUEPMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3Si.2BrH/c1-5-16(22(19-2,20-3)21-4)15-12-18-11-8-14(15)13-6-9-17-10-7-13;;/h6-12,16H,5H2,1-4H3;2*1H.
What are the key properties of trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide?
trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide has a molecular weight of 480.27 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(4-pyridin-4-yl-3-pyridinyl)propyl]silane;dihydrobromide is sourced from PubChem (CID 173313432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).