trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane

C21H20N2Si — CID 141473212

IUPACtrimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2ncccc2-c2ccncc2)c1
InChIInChI=1S/C21H20N2Si/c1-24(2,3)15-11-17-6-4-7-19(16-17)21-20(8-5-12-23-21)18-9-13-22-14-10-18/h4-10,12-14,16H,1-3H3
InChIKeyXMUQYDMEHUFGFA-UHFFFAOYSA-N
MW328.49 g/mol
LogP5.04
Rot. Bonds2

About trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane

trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane (PubChem CID 141473212) has the molecular formula C21H20N2Si and a molecular weight of 328.49 g/mol. Its IUPAC name is trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane
PubChem CID141473212
Molecular FormulaC21H20N2Si
Molecular Weight328.49 g/mol
Exact Mass328.14
IUPAC Nametrimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2ncccc2-c2ccncc2)c1
InChIInChI=1S/C21H20N2Si/c1-24(2,3)15-11-17-6-4-7-19(16-17)21-20(8-5-12-23-21)18-9-13-22-14-10-18/h4-10,12-14,16H,1-3H3
InChIKeyXMUQYDMEHUFGFA-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane (CID 141473212) is trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1cccc(-c2ncccc2-c2ccncc2)c1.
What is the InChIKey of trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane?
The InChIKey is XMUQYDMEHUFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2Si/c1-24(2,3)15-11-17-6-4-7-19(16-17)21-20(8-5-12-23-21)18-9-13-22-14-10-18/h4-10,12-14,16H,1-3H3.
What are the key properties of trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane?
trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane has a molecular weight of 328.49 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane is sourced from PubChem (CID 141473212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).