4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid

C11H9FN2O3S — CID 114045790

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCCc1ncnc(Oc2csc(C(=O)O)c2)c1F
InChIInChI=1S/C11H9FN2O3S/c1-2-7-9(12)10(14-5-13-7)17-6-3-8(11(15)16)18-4-6/h3-5H,2H2,1H3,(H,15,16)
InChIKeyCHNJIUDFNUDKLU-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.73
Rot. Bonds4

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid

4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 114045790) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid
PubChem CID114045790
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCCc1ncnc(Oc2csc(C(=O)O)c2)c1F
InChIInChI=1S/C11H9FN2O3S/c1-2-7-9(12)10(14-5-13-7)17-6-3-8(11(15)16)18-4-6/h3-5H,2H2,1H3,(H,15,16)
InChIKeyCHNJIUDFNUDKLU-UHFFFAOYSA-N
XLogP2.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid (CID 114045790) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid is CCc1ncnc(Oc2csc(C(=O)O)c2)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is CHNJIUDFNUDKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-2-7-9(12)10(14-5-13-7)17-6-3-8(11(15)16)18-4-6/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid?
4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-fluoropyrimidin-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 114045790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).