3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid

C13H24FNO3Si — CID 175554480

IUPAC3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid
SMILESCC[Si](CC)(CC)OC1=CCN(C(=O)O)CC1(C)F
InChIInChI=1S/C13H24FNO3Si/c1-5-19(6-2,7-3)18-11-8-9-15(12(16)17)10-13(11,4)14/h8H,5-7,9-10H2,1-4H3,(H,16,17)
InChIKeyVEUMRTIBYIUGKM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.61
Rot. Bonds5

About 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid

3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid (PubChem CID 175554480) has the molecular formula C13H24FNO3Si and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid
PubChem CID175554480
Molecular FormulaC13H24FNO3Si
Molecular Weight289.42 g/mol
Exact Mass289.15
IUPAC Name3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid
SMILESCC[Si](CC)(CC)OC1=CCN(C(=O)O)CC1(C)F
InChIInChI=1S/C13H24FNO3Si/c1-5-19(6-2,7-3)18-11-8-9-15(12(16)17)10-13(11,4)14/h8H,5-7,9-10H2,1-4H3,(H,16,17)
InChIKeyVEUMRTIBYIUGKM-UHFFFAOYSA-N
XLogP3.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid (CID 175554480) is 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid is CC[Si](CC)(CC)OC1=CCN(C(=O)O)CC1(C)F.
What is the InChIKey of 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
The InChIKey is VEUMRTIBYIUGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO3Si/c1-5-19(6-2,7-3)18-11-8-9-15(12(16)17)10-13(11,4)14/h8H,5-7,9-10H2,1-4H3,(H,16,17).
What are the key properties of 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid?
3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-triethylsilyloxy-2,6-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 175554480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).