ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate

C17H14FNO4S — CID 69316067

IUPACethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C17H14FNO4S/c1-2-23-17(22)13-14(20)15-12(6-7-24-15)19(16(13)21)9-10-4-3-5-11(18)8-10/h3-8,20H,2,9H2,1H3
InChIKeyRAJHXGRMELBNES-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.13
Rot. Bonds4

About ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate

ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate (PubChem CID 69316067) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
PubChem CID69316067
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC Nameethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C17H14FNO4S/c1-2-23-17(22)13-14(20)15-12(6-7-24-15)19(16(13)21)9-10-4-3-5-11(18)8-10/h3-8,20H,2,9H2,1H3
InChIKeyRAJHXGRMELBNES-UHFFFAOYSA-N
XLogP3.13
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate (CID 69316067) is ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1c(O)c2sccc2n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is RAJHXGRMELBNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-2-23-17(22)13-14(20)15-12(6-7-24-15)19(16(13)21)9-10-4-3-5-11(18)8-10/h3-8,20H,2,9H2,1H3.
What are the key properties of ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate?
ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-fluorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 69316067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).