5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C14H12FN3O4S — CID 168901028

IUPAC5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCc1ccc(-c2ccc(O)c(N3CC(=O)NS3(=O)=O)c2F)cn1
InChIInChI=1S/C14H12FN3O4S/c1-8-2-3-9(6-16-8)10-4-5-11(19)14(13(10)15)18-7-12(20)17-23(18,21)22/h2-6,19H,7H2,1H3,(H,17,20)
InChIKeyYGXJYSGJIZXPSG-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.08
Rot. Bonds2

About 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168901028) has the molecular formula C14H12FN3O4S and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID168901028
Molecular FormulaC14H12FN3O4S
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC Name5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCc1ccc(-c2ccc(O)c(N3CC(=O)NS3(=O)=O)c2F)cn1
InChIInChI=1S/C14H12FN3O4S/c1-8-2-3-9(6-16-8)10-4-5-11(19)14(13(10)15)18-7-12(20)17-23(18,21)22/h2-6,19H,7H2,1H3,(H,17,20)
InChIKeyYGXJYSGJIZXPSG-UHFFFAOYSA-N
XLogP1.08
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 168901028) is 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is Cc1ccc(-c2ccc(O)c(N3CC(=O)NS3(=O)=O)c2F)cn1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is YGXJYSGJIZXPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4S/c1-8-2-3-9(6-16-8)10-4-5-11(19)14(13(10)15)18-7-12(20)17-23(18,21)22/h2-6,19H,7H2,1H3,(H,17,20).
What are the key properties of 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 337.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-3-(6-methyl-3-pyridinyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168901028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).