methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate

C16H18FNO2Si — CID 150115292

IUPACmethyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccc([Si](C)(C)C)c(F)c1
InChIInChI=1S/C16H18FNO2Si/c1-20-16(19)15-12(6-5-9-18-15)11-7-8-14(13(17)10-11)21(2,3)4/h5-10H,1-4H3
InChIKeyDYCPZIHDURDNIZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.22
Rot. Bonds3

About methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate

methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate (PubChem CID 150115292) has the molecular formula C16H18FNO2Si and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
PubChem CID150115292
Molecular FormulaC16H18FNO2Si
Molecular Weight303.41 g/mol
Exact Mass303.11
IUPAC Namemethyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccc([Si](C)(C)C)c(F)c1
InChIInChI=1S/C16H18FNO2Si/c1-20-16(19)15-12(6-5-9-18-15)11-7-8-14(13(17)10-11)21(2,3)4/h5-10H,1-4H3
InChIKeyDYCPZIHDURDNIZ-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate (CID 150115292) is methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate is COC(=O)c1ncccc1-c1ccc([Si](C)(C)C)c(F)c1.
What is the InChIKey of methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate?
The InChIKey is DYCPZIHDURDNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2Si/c1-20-16(19)15-12(6-5-9-18-15)11-7-8-14(13(17)10-11)21(2,3)4/h5-10H,1-4H3.
What are the key properties of methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate?
methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 150115292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).