2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid

C15H21N3O3Si — CID 154665027

IUPAC2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
SMILESC[Si](C)(C)CCOCn1ccnc1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H21N3O3Si/c1-22(2,3)9-8-21-11-18-7-6-17-14(18)13-10-12(15(19)20)4-5-16-13/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyLNVVZRWILFMASS-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.96
Rot. Bonds7

About 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid

2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 154665027) has the molecular formula C15H21N3O3Si and a molecular weight of 319.44 g/mol. Its IUPAC name is 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
PubChem CID154665027
Molecular FormulaC15H21N3O3Si
Molecular Weight319.44 g/mol
Exact Mass319.14
IUPAC Name2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
SMILESC[Si](C)(C)CCOCn1ccnc1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H21N3O3Si/c1-22(2,3)9-8-21-11-18-7-6-17-14(18)13-10-12(15(19)20)4-5-16-13/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyLNVVZRWILFMASS-UHFFFAOYSA-N
XLogP2.96
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid (CID 154665027) is 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid is C[Si](C)(C)CCOCn1ccnc1-c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid?
The InChIKey is LNVVZRWILFMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3Si/c1-22(2,3)9-8-21-11-18-7-6-17-14(18)13-10-12(15(19)20)4-5-16-13/h4-7,10H,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid?
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 319.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 154665027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).