2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid

C11H8FNO3S — CID 155964958

IUPAC2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1ccc(-c2ccc(F)s2)cc1=O
InChIInChI=1S/C11H8FNO3S/c12-9-2-1-8(17-9)7-3-4-13(6-11(15)16)10(14)5-7/h1-5H,6H2,(H,15,16)
InChIKeyIOKJELVAASUAAL-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid

2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 155964958) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID155964958
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1ccc(-c2ccc(F)s2)cc1=O
InChIInChI=1S/C11H8FNO3S/c12-9-2-1-8(17-9)7-3-4-13(6-11(15)16)10(14)5-7/h1-5H,6H2,(H,15,16)
InChIKeyIOKJELVAASUAAL-UHFFFAOYSA-N
XLogP1.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid (CID 155964958) is 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1ccc(-c2ccc(F)s2)cc1=O.
What is the InChIKey of 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is IOKJELVAASUAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-9-2-1-8(17-9)7-3-4-13(6-11(15)16)10(14)5-7/h1-5H,6H2,(H,15,16).
What are the key properties of 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid?
2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorothiophen-2-yl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 155964958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).