methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate

C17H21F2N3O2Si — CID 59140150

IUPACmethyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(CN)nc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H21F2N3O2Si/c1-24-17(23)11-8-13(19)15(9-20)22-16(11)21-14-6-5-10(7-12(14)18)25(2,3)4/h5-8H,9,20H2,1-4H3,(H,21,22)
InChIKeyZCJOYINZOYVFIF-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.89
Rot. Bonds5

About methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate

methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate (PubChem CID 59140150) has the molecular formula C17H21F2N3O2Si and a molecular weight of 365.46 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate
PubChem CID59140150
Molecular FormulaC17H21F2N3O2Si
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Namemethyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(CN)nc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H21F2N3O2Si/c1-24-17(23)11-8-13(19)15(9-20)22-16(11)21-14-6-5-10(7-12(14)18)25(2,3)4/h5-8H,9,20H2,1-4H3,(H,21,22)
InChIKeyZCJOYINZOYVFIF-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate (CID 59140150) is methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate is COC(=O)c1cc(F)c(CN)nc1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
The InChIKey is ZCJOYINZOYVFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2Si/c1-24-17(23)11-8-13(19)15(9-20)22-16(11)21-14-6-5-10(7-12(14)18)25(2,3)4/h5-8H,9,20H2,1-4H3,(H,21,22).
What are the key properties of methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-5-fluoro-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 59140150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).