2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane

C15H23NO2Si — CID 86678195

IUPAC2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane
SMILESCCOC(OCC)c1ccc(C#C[Si](C)(C)C)nc1
InChIInChI=1S/C15H23NO2Si/c1-6-17-15(18-7-2)13-8-9-14(16-12-13)10-11-19(3,4)5/h8-9,12,15H,6-7H2,1-5H3
InChIKeyPXCGZOILGFSWAO-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.38
Rot. Bonds5

About 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane

2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane (PubChem CID 86678195) has the molecular formula C15H23NO2Si and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane
PubChem CID86678195
Molecular FormulaC15H23NO2Si
Molecular Weight277.44 g/mol
Exact Mass277.15
IUPAC Name2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane
SMILESCCOC(OCC)c1ccc(C#C[Si](C)(C)C)nc1
InChIInChI=1S/C15H23NO2Si/c1-6-17-15(18-7-2)13-8-9-14(16-12-13)10-11-19(3,4)5/h8-9,12,15H,6-7H2,1-5H3
InChIKeyPXCGZOILGFSWAO-UHFFFAOYSA-N
XLogP3.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol
CID 172994132
6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 59853066
4-(diethoxymethyl)pyridine
CID 15389192
[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid
CID 66917597
2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
CID 58303305
2-[5-(difluoromethyl)-2-pyridinyl]ethynyl-trimethyl-λ4-sulfane
CID 170205035
2-(5-methoxypyrazin-2-yl)ethynyl-trimethylsilane
CID 90303128
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
2-[4-(diethoxymethyl)phenyl]acetonitrile
CID 170886209
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
[4-(diethoxymethyl)phenyl]methanol
CID 11063705
2-(5-bromopyrazin-2-yl)ethynyl-trimethylsilane
CID 57497686

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane (CID 86678195) is 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane is CCOC(OCC)c1ccc(C#C[Si](C)(C)C)nc1.
What is the InChIKey of 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
The InChIKey is PXCGZOILGFSWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2Si/c1-6-17-15(18-7-2)13-8-9-14(16-12-13)10-11-19(3,4)5/h8-9,12,15H,6-7H2,1-5H3.
What are the key properties of 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane has a molecular weight of 277.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane is sourced from PubChem (CID 86678195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).