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

C17H14FNO3S — CID 10758881

IUPACethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2sccc2c(=O)n1C
InChIInChI=1S/C17H14FNO3S/c1-3-22-17(21)14-13(10-4-6-11(18)7-5-10)15-12(8-9-23-15)16(20)19(14)2/h4-9H,3H2,1-2H3
InChIKeyODMKSMMBIVAGIH-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.58
Rot. Bonds3

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

ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate (PubChem CID 10758881) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate
PubChem CID10758881
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Nameethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2sccc2c(=O)n1C
InChIInChI=1S/C17H14FNO3S/c1-3-22-17(21)14-13(10-4-6-11(18)7-5-10)15-12(8-9-23-15)16(20)19(14)2/h4-9H,3H2,1-2H3
InChIKeyODMKSMMBIVAGIH-UHFFFAOYSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (Z)-2-benzamido-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 6014241
2-fluoro-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)benzamide
CID 49670496
4-fluoro-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)benzamide
CID 49716383
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(2-thienylmethyl)benzamide
CID 50974666
Ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate
CID 10496713
7-(4-Fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylic acid
CID 10518523
Ethyl 2-[[2-(4-fluorobenzoyl)thiophene-3-carbonyl]-methylamino]acetate
CID 10521755
Ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate
CID 10545726
4-(4-Fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
CID 10614368
7-(4-Fluoro-phenyl)-5-methyl-4-oxo-4,5-dihydro-thieno[3,4-C]pyridine-6-carboxylic acid
CID 10638142
Ethyl 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylate
CID 10687943
Ethyl 2-[[4-(4-fluorobenzoyl)thiophene-3-carbonyl]-methylamino]acetate
CID 10689134

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate (CID 10758881) is ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)c2sccc2c(=O)n1C.
What is the InChIKey of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is ODMKSMMBIVAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-3-22-17(21)14-13(10-4-6-11(18)7-5-10)15-12(8-9-23-15)16(20)19(14)2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate?
ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 10758881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).