2-trimethoxysilylethyl pyridine-2-carboxylate

C11H17NO5Si — CID 68835998

IUPAC2-trimethoxysilylethyl pyridine-2-carboxylate
SMILESCO[Si](CCOC(=O)c1ccccn1)(OC)OC
InChIInChI=1S/C11H17NO5Si/c1-14-18(15-2,16-3)9-8-17-11(13)10-6-4-5-7-12-10/h4-7H,8-9H2,1-3H3
InChIKeyRYDOFHVPMGAVOR-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.12
Rot. Bonds7

About 2-trimethoxysilylethyl pyridine-2-carboxylate

2-trimethoxysilylethyl pyridine-2-carboxylate (PubChem CID 68835998) has the molecular formula C11H17NO5Si and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-trimethoxysilylethyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-trimethoxysilylethyl pyridine-2-carboxylate
PubChem CID68835998
Molecular FormulaC11H17NO5Si
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-trimethoxysilylethyl pyridine-2-carboxylate
SMILESCO[Si](CCOC(=O)c1ccccn1)(OC)OC
InChIInChI=1S/C11H17NO5Si/c1-14-18(15-2,16-3)9-8-17-11(13)10-6-4-5-7-12-10/h4-7H,8-9H2,1-3H3
InChIKeyRYDOFHVPMGAVOR-UHFFFAOYSA-N
XLogP1.12
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
ethyl pyridine-2-carboxylate
CID 17307
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
tris[1-(1-methoxyethoxy)ethoxy]silylmethyl pyridine-2-carboxylate
CID 69012079
N-methylpyridine-2-carbohydrazide
CID 45084309
1-aminoethyl pyridine-2-carboxylate
CID 141264689
4-(1,3-dioxoisoindol-2-yl)butyl pyridine-2-carboxylate
CID 18074643
2-methylpentyl pyridine-2-carboxylate
CID 150671770
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylethyl pyridine-2-carboxylate?
The IUPAC name of 2-trimethoxysilylethyl pyridine-2-carboxylate (CID 68835998) is 2-trimethoxysilylethyl pyridine-2-carboxylate.
What is the SMILES notation for 2-trimethoxysilylethyl pyridine-2-carboxylate?
The canonical SMILES for 2-trimethoxysilylethyl pyridine-2-carboxylate is CO[Si](CCOC(=O)c1ccccn1)(OC)OC.
What is the InChIKey of 2-trimethoxysilylethyl pyridine-2-carboxylate?
The InChIKey is RYDOFHVPMGAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5Si/c1-14-18(15-2,16-3)9-8-17-11(13)10-6-4-5-7-12-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-trimethoxysilylethyl pyridine-2-carboxylate?
2-trimethoxysilylethyl pyridine-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylethyl pyridine-2-carboxylate is sourced from PubChem (CID 68835998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).