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

C18H19ClF2N2O2Si — CID 70497567

IUPACmethyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1C=C[Si](C)(C)C
InChIInChI=1S/C18H19ClF2N2O2Si/c1-25-18(24)17-11(7-8-26(2,3)4)15(22)14(21)16(23-17)10-5-6-12(19)13(20)9-10/h5-9H,1-4H3,(H2,22,23)
InChIKeyBJGQIESXOKHRFZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.94
Rot. Bonds4

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

methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate (PubChem CID 70497567) has the molecular formula C18H19ClF2N2O2Si and a molecular weight of 396.90 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
PubChem CID70497567
Molecular FormulaC18H19ClF2N2O2Si
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Namemethyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1C=C[Si](C)(C)C
InChIInChI=1S/C18H19ClF2N2O2Si/c1-25-18(24)17-11(7-8-26(2,3)4)15(22)14(21)16(23-17)10-5-6-12(19)13(20)9-10/h5-9H,1-4H3,(H2,22,23)
InChIKeyBJGQIESXOKHRFZ-UHFFFAOYSA-N
XLogP4.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.94
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-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate (CID 70497567) is methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1C=C[Si](C)(C)C.
What is the InChIKey of methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
The InChIKey is BJGQIESXOKHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2Si/c1-25-18(24)17-11(7-8-26(2,3)4)15(22)14(21)16(23-17)10-5-6-12(19)13(20)9-10/h5-9H,1-4H3,(H2,22,23).
What are the key properties of methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate has a molecular weight of 396.90 g/mol, XLogP of 4.94, 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-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate is sourced from PubChem (CID 70497567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).