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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Related Compounds

methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70498124
4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
CID 71175273
methyl 6-amino-2-(4-chloro-2,3-difluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
CID 70497077
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
CID 70497064
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3,5-difluoropyridine-2-carboxylate
CID 22677492
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 172742481

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).