ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate

C20H23FN2O3Si — CID 67454829

IUPACethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nccc(C)c2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C20H23FN2O3Si/c1-6-25-20(24)18-17(16-12(2)9-10-22-19(16)26-18)23-15-8-7-13(11-14(15)21)27(3,4)5/h7-11,23H,6H2,1-5H3
InChIKeyFTOMVNHWILRYQJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.74
Rot. Bonds5

About ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate

ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 67454829) has the molecular formula C20H23FN2O3Si and a molecular weight of 386.50 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate
PubChem CID67454829
Molecular FormulaC20H23FN2O3Si
Molecular Weight386.50 g/mol
Exact Mass386.15
IUPAC Nameethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nccc(C)c2c1Nc1ccc([Si](C)(C)C)cc1F
InChIInChI=1S/C20H23FN2O3Si/c1-6-25-20(24)18-17(16-12(2)9-10-22-19(16)26-18)23-15-8-7-13(11-14(15)21)27(3,4)5/h7-11,23H,6H2,1-5H3
InChIKeyFTOMVNHWILRYQJ-UHFFFAOYSA-N
XLogP4.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
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 ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate (CID 67454829) is ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2nccc(C)c2c1Nc1ccc([Si](C)(C)C)cc1F.
What is the InChIKey of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is FTOMVNHWILRYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3Si/c1-6-25-20(24)18-17(16-12(2)9-10-22-19(16)26-18)23-15-8-7-13(11-14(15)21)27(3,4)5/h7-11,23H,6H2,1-5H3.
What are the key properties of ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-4-trimethylsilylanilino)-4-methylfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 67454829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).