methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate

C17H21FN2O3Si — CID 156808771

IUPACmethyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(CO)ncc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H21FN2O3Si/c1-23-17(22)13-7-11(10-21)19-9-16(13)20-15-6-5-12(8-14(15)18)24(2,3)4/h5-9,20-21H,10H2,1-4H3
InChIKeyBCAPYHAEHQFPGW-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.79
Rot. Bonds5

About methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate

methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate (PubChem CID 156808771) has the molecular formula C17H21FN2O3Si and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate
PubChem CID156808771
Molecular FormulaC17H21FN2O3Si
Molecular Weight348.45 g/mol
Exact Mass348.13
IUPAC Namemethyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(CO)ncc1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C17H21FN2O3Si/c1-23-17(22)13-7-11(10-21)19-9-16(13)20-15-6-5-12(8-14(15)18)24(2,3)4/h5-9,20-21H,10H2,1-4H3
InChIKeyBCAPYHAEHQFPGW-UHFFFAOYSA-N
XLogP2.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-4-trimethylsilylanilino)-4-methoxycarbonylpyridine-2-carboxylic acid
CID 156808759
methyl 5-(4-fluoro-2-prop-2-enylanilino)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 170612072
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596662
methyl 5-hydroxy-3-(hydroxymethyl)isoquinoline-6-carboxylate
CID 20585560
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860
methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596497
dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
methyl 5-amino-2-(2,3,4-trifluoroanilino)benzoate
CID 61307392
methyl 5-(4-ethyl-2-fluoroanilino)-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 123219286

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate (CID 156808771) is methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate is COC(=O)c1cc(CO)ncc1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate?
The InChIKey is BCAPYHAEHQFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3Si/c1-23-17(22)13-7-11(10-21)19-9-16(13)20-15-6-5-12(8-14(15)18)24(2,3)4/h5-9,20-21H,10H2,1-4H3.
What are the key properties of methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate?
methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluoro-4-trimethylsilylanilino)-2-(hydroxymethyl)pyridine-4-carboxylate is sourced from PubChem (CID 156808771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).