ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate

C11H10FNO3S — CID 112556969

IUPACethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate
SMILESCCOC(=O)C(F)n1ccc2sccc2c1=O
InChIInChI=1S/C11H10FNO3S/c1-2-16-11(15)9(12)13-5-3-8-7(10(13)14)4-6-17-8/h3-6,9H,2H2,1H3
InChIKeyFWAJJYGCBFGJLB-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.09
Rot. Bonds3

About ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate

ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate (PubChem CID 112556969) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate
PubChem CID112556969
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Nameethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate
SMILESCCOC(=O)C(F)n1ccc2sccc2c1=O
InChIInChI=1S/C11H10FNO3S/c1-2-16-11(15)9(12)13-5-3-8-7(10(13)14)4-6-17-8/h3-6,9H,2H2,1H3
InChIKeyFWAJJYGCBFGJLB-UHFFFAOYSA-N
XLogP2.09
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate (CID 112556969) is ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate is CCOC(=O)C(F)n1ccc2sccc2c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate?
The InChIKey is FWAJJYGCBFGJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c1-2-16-11(15)9(12)13-5-3-8-7(10(13)14)4-6-17-8/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate?
ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate has a molecular weight of 255.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetate is sourced from PubChem (CID 112556969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).