3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde

C12H15NOSi — CID 168866506

IUPAC3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
SMILESCc1cc(C#C[Si](C)(C)C)cnc1C=O
InChIInChI=1S/C12H15NOSi/c1-10-7-11(5-6-15(2,3)4)8-13-12(10)9-14/h7-9H,1-4H3
InChIKeyVNMWGAWWKCSWTM-UHFFFAOYSA-N
MW217.34 g/mol
LogP2.43
Rot. Bonds1

About 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde

3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde (PubChem CID 168866506) has the molecular formula C12H15NOSi and a molecular weight of 217.34 g/mol. Its IUPAC name is 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
PubChem CID168866506
Molecular FormulaC12H15NOSi
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
SMILESCc1cc(C#C[Si](C)(C)C)cnc1C=O
InChIInChI=1S/C12H15NOSi/c1-10-7-11(5-6-15(2,3)4)8-13-12(10)9-14/h7-9H,1-4H3
InChIKeyVNMWGAWWKCSWTM-UHFFFAOYSA-N
XLogP2.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.43
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-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde (CID 168866506) is 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde is Cc1cc(C#C[Si](C)(C)C)cnc1C=O.
What is the InChIKey of 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
The InChIKey is VNMWGAWWKCSWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOSi/c1-10-7-11(5-6-15(2,3)4)8-13-12(10)9-14/h7-9H,1-4H3.
What are the key properties of 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde?
3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde has a molecular weight of 217.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 168866506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).