3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde

C11H13NOSi — CID 15442235

IUPAC3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cccnc1C=O
InChIInChI=1S/C11H13NOSi/c1-14(2,3)8-6-10-5-4-7-12-11(10)9-13/h4-5,7,9H,1-3H3
InChIKeyFOOUHPYHXCKPQB-UHFFFAOYSA-N
MW203.32 g/mol
LogP2.12
Rot. Bonds1

About 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde

3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde (PubChem CID 15442235) has the molecular formula C11H13NOSi and a molecular weight of 203.32 g/mol. Its IUPAC name is 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
PubChem CID15442235
Molecular FormulaC11H13NOSi
Molecular Weight203.32 g/mol
Exact Mass203.08
IUPAC Name3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cccnc1C=O
InChIInChI=1S/C11H13NOSi/c1-14(2,3)8-6-10-5-4-7-12-11(10)9-13/h4-5,7,9H,1-3H3
InChIKeyFOOUHPYHXCKPQB-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 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde (CID 15442235) is 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde is C[Si](C)(C)C#Cc1cccnc1C=O.
What is the InChIKey of 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
The InChIKey is FOOUHPYHXCKPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOSi/c1-14(2,3)8-6-10-5-4-7-12-11(10)9-13/h4-5,7,9H,1-3H3.
What are the key properties of 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
3-(2-trimethylsilylethynyl)pyridine-2-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 3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 15442235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).