3-triethoxysilylpropyl pyridine-2-carboxylate

C15H25NO5Si — CID 68836141

IUPAC3-triethoxysilylpropyl pyridine-2-carboxylate
SMILESCCO[Si](CCCOC(=O)c1ccccn1)(OCC)OCC
InChIInChI=1S/C15H25NO5Si/c1-4-19-22(20-5-2,21-6-3)13-9-12-18-15(17)14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyMCXLVKZSMYKLMS-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.68
Rot. Bonds11

About 3-triethoxysilylpropyl pyridine-2-carboxylate

3-triethoxysilylpropyl pyridine-2-carboxylate (PubChem CID 68836141) has the molecular formula C15H25NO5Si and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-triethoxysilylpropyl pyridine-2-carboxylate.

Molecular Properties

Compound Name3-triethoxysilylpropyl pyridine-2-carboxylate
PubChem CID68836141
Molecular FormulaC15H25NO5Si
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name3-triethoxysilylpropyl pyridine-2-carboxylate
SMILESCCO[Si](CCCOC(=O)c1ccccn1)(OCC)OCC
InChIInChI=1S/C15H25NO5Si/c1-4-19-22(20-5-2,21-6-3)13-9-12-18-15(17)14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyMCXLVKZSMYKLMS-UHFFFAOYSA-N
XLogP2.68
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl pyridine-2-carboxylate
CID 17307
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
3-triethoxysilylpropyl 4-iodobenzoate
CID 153491390
4-(1,3-dioxoisoindol-2-yl)butyl pyridine-2-carboxylate
CID 18074643
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
3-(3,4-dihydroxy-2-methylpyridin-1-ium-1-yl)propyl pyridine-2-carboxylate chloride
CID 10758369
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
[3-(3-triethoxysilylpropoxy)phenyl] benzoate
CID 52911417

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropyl pyridine-2-carboxylate?
The IUPAC name of 3-triethoxysilylpropyl pyridine-2-carboxylate (CID 68836141) is 3-triethoxysilylpropyl pyridine-2-carboxylate.
What is the SMILES notation for 3-triethoxysilylpropyl pyridine-2-carboxylate?
The canonical SMILES for 3-triethoxysilylpropyl pyridine-2-carboxylate is CCO[Si](CCCOC(=O)c1ccccn1)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropyl pyridine-2-carboxylate?
The InChIKey is MCXLVKZSMYKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5Si/c1-4-19-22(20-5-2,21-6-3)13-9-12-18-15(17)14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of 3-triethoxysilylpropyl pyridine-2-carboxylate?
3-triethoxysilylpropyl pyridine-2-carboxylate has a molecular weight of 327.45 g/mol, XLogP of 2.68, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl pyridine-2-carboxylate is sourced from PubChem (CID 68836141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).