methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate

C18H20ClFN2O2Si — CID 70498124

IUPACmethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C=C[Si](C)(C)C
InChIInChI=1S/C18H20ClFN2O2Si/c1-24-18(23)17-13(9-10-25(2,3)4)15(21)14(20)16(22-17)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H2,21,22)
InChIKeySPECCEUIWQOYLF-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.80
Rot. Bonds4

About methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate

methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate (PubChem CID 70498124) has the molecular formula C18H20ClFN2O2Si and a molecular weight of 378.91 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
PubChem CID70498124
Molecular FormulaC18H20ClFN2O2Si
Molecular Weight378.91 g/mol
Exact Mass378.10
IUPAC Namemethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C=C[Si](C)(C)C
InChIInChI=1S/C18H20ClFN2O2Si/c1-24-18(23)17-13(9-10-25(2,3)4)15(21)14(20)16(22-17)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H2,21,22)
InChIKeySPECCEUIWQOYLF-UHFFFAOYSA-N
XLogP4.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate (CID 70498124) is methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C=C[Si](C)(C)C.
What is the InChIKey of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
The InChIKey is SPECCEUIWQOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2Si/c1-24-18(23)17-13(9-10-25(2,3)4)15(21)14(20)16(22-17)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H2,21,22).
What are the key properties of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate has a molecular weight of 378.91 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate is sourced from PubChem (CID 70498124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).