5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile

C12H14N2OSi — CID 58015505

IUPAC5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile
SMILESCOc1cnc(C#C[Si](C)(C)C)c(C#N)c1
InChIInChI=1S/C12H14N2OSi/c1-15-11-7-10(8-13)12(14-9-11)5-6-16(2,3)4/h7,9H,1-4H3
InChIKeyPDWKJUUQDLYUTQ-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.19
Rot. Bonds1

About 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile

5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile (PubChem CID 58015505) has the molecular formula C12H14N2OSi and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile
PubChem CID58015505
Molecular FormulaC12H14N2OSi
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile
SMILESCOc1cnc(C#C[Si](C)(C)C)c(C#N)c1
InChIInChI=1S/C12H14N2OSi/c1-15-11-7-10(8-13)12(14-9-11)5-6-16(2,3)4/h7,9H,1-4H3
InChIKeyPDWKJUUQDLYUTQ-UHFFFAOYSA-N
XLogP2.19
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile?
The IUPAC name of 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile (CID 58015505) is 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile is COc1cnc(C#C[Si](C)(C)C)c(C#N)c1.
What is the InChIKey of 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile?
The InChIKey is PDWKJUUQDLYUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OSi/c1-15-11-7-10(8-13)12(14-9-11)5-6-16(2,3)4/h7,9H,1-4H3.
What are the key properties of 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile?
5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile has a molecular weight of 230.34 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-trimethylsilylethynyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58015505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).