2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde

C11H13NOSi — CID 151243956

IUPAC2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cc(C=O)ccn1
InChIInChI=1S/C11H13NOSi/c1-14(2,3)7-5-11-8-10(9-13)4-6-12-11/h4,6,8-9H,1-3H3
InChIKeyNQXDHXXFLXWSGQ-UHFFFAOYSA-N
MW203.32 g/mol
LogP2.12
Rot. Bonds1

About 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde

2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde (PubChem CID 151243956) has the molecular formula C11H13NOSi and a molecular weight of 203.32 g/mol. Its IUPAC name is 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde
PubChem CID151243956
Molecular FormulaC11H13NOSi
Molecular Weight203.32 g/mol
Exact Mass203.08
IUPAC Name2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cc(C=O)ccn1
InChIInChI=1S/C11H13NOSi/c1-14(2,3)7-5-11-8-10(9-13)4-6-12-11/h4,6,8-9H,1-3H3
InChIKeyNQXDHXXFLXWSGQ-UHFFFAOYSA-N
XLogP2.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde (CID 151243956) is 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde is C[Si](C)(C)C#Cc1cc(C=O)ccn1.
What is the InChIKey of 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde?
The InChIKey is NQXDHXXFLXWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOSi/c1-14(2,3)7-5-11-8-10(9-13)4-6-12-11/h4,6,8-9H,1-3H3.
What are the key properties of 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde?
2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde has a molecular weight of 203.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 151243956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).