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

C17H22FN3O2Si — CID 59140164

IUPACmethyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN)nc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H22FN3O2Si/c1-23-17(22)13-7-5-11(10-19)20-16(13)21-15-8-6-12(9-14(15)18)24(2,3)4/h5-9H,10,19H2,1-4H3,(H,20,21)
InChIKeyFXWIQIUNGNRSJW-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.75
Rot. Bonds5

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

methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate (PubChem CID 59140164) has the molecular formula C17H22FN3O2Si and a molecular weight of 347.47 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate
PubChem CID59140164
Molecular FormulaC17H22FN3O2Si
Molecular Weight347.47 g/mol
Exact Mass347.15
IUPAC Namemethyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN)nc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H22FN3O2Si/c1-23-17(22)13-7-5-11(10-19)20-16(13)21-15-8-6-12(9-14(15)18)24(2,3)4/h5-9H,10,19H2,1-4H3,(H,20,21)
InChIKeyFXWIQIUNGNRSJW-UHFFFAOYSA-N
XLogP2.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.75
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)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate (CID 59140164) is methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate is COC(=O)c1ccc(CN)nc1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
The InChIKey is FXWIQIUNGNRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2Si/c1-23-17(22)13-7-5-11(10-19)20-16(13)21-15-8-6-12(9-14(15)18)24(2,3)4/h5-9H,10,19H2,1-4H3,(H,20,21).
What are the key properties of methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate?
methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate has a molecular weight of 347.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-(2-fluoro-4-trimethylsilylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 59140164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).