ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride

C11H19ClNO2Si+ — CID 126957330

IUPACethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc[n+]([Si](C)(C)C)cc1.Cl
InChIInChI=1S/C11H18NO2Si.ClH/c1-5-14-11(13)10-6-8-12(9-7-10)15(2,3)4;/h6-9H,5H2,1-4H3;1H/q+1;
InChIKeyDHACADATUCONFY-UHFFFAOYSA-N
MW260.82 g/mol
LogP2.26
Rot. Bonds3

About ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride

ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride (PubChem CID 126957330) has the molecular formula C11H19ClNO2Si+ and a molecular weight of 260.82 g/mol. Its IUPAC name is ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride
PubChem CID126957330
Molecular FormulaC11H19ClNO2Si+
Molecular Weight260.82 g/mol
Exact Mass260.09
IUPAC Nameethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc[n+]([Si](C)(C)C)cc1.Cl
InChIInChI=1S/C11H18NO2Si.ClH/c1-5-14-11(13)10-6-8-12(9-7-10)15(2,3)4;/h6-9H,5H2,1-4H3;1H/q+1;
InChIKeyDHACADATUCONFY-UHFFFAOYSA-N
XLogP2.26
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.82
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-methylpyridin-1-ium-4-carboxylate;hydroiodide
CID 126957218
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 1-difluoroboranylpyridin-1-ium-4-carboxylate fluoride
CID 158323908
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
pentachloro-(4-ethoxycarbonylpyridin-1-ium-1-yl)oxyantimony(1-)
CID 134096240
CID 158970570
CID 158970570
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969

Frequently Asked Questions

What is the IUPAC name of ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride (CID 126957330) is ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride is CCOC(=O)c1cc[n+]([Si](C)(C)C)cc1.Cl.
What is the InChIKey of ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride?
The InChIKey is DHACADATUCONFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2Si.ClH/c1-5-14-11(13)10-6-8-12(9-7-10)15(2,3)4;/h6-9H,5H2,1-4H3;1H/q+1;.
What are the key properties of ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride?
ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride has a molecular weight of 260.82 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-trimethylsilylpyridin-1-ium-4-carboxylate;hydrochloride is sourced from PubChem (CID 126957330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).