2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid

C9H6FN3O3S — CID 79717791

IUPAC2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C9H6FN3O3S/c10-5-1-2-6(11-3-5)8-12-9(16-13-8)17-4-7(14)15/h1-3H,4H2,(H,14,15)
InChIKeySSLAGCMGTWQEJM-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.45
Rot. Bonds4

About 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid

2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid (PubChem CID 79717791) has the molecular formula C9H6FN3O3S and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
PubChem CID79717791
Molecular FormulaC9H6FN3O3S
Molecular Weight255.23 g/mol
Exact Mass255.01
IUPAC Name2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C9H6FN3O3S/c10-5-1-2-6(11-3-5)8-12-9(16-13-8)17-4-7(14)15/h1-3H,4H2,(H,14,15)
InChIKeySSLAGCMGTWQEJM-UHFFFAOYSA-N
XLogP1.45
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid (CID 79717791) is 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid is O=C(O)CSc1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The InChIKey is SSLAGCMGTWQEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O3S/c10-5-1-2-6(11-3-5)8-12-9(16-13-8)17-4-7(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid has a molecular weight of 255.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid is sourced from PubChem (CID 79717791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).