3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid

C11H7FN2O2S — CID 62703289

IUPAC3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ccc(F)cc1
InChIInChI=1S/C11H7FN2O2S/c12-7-1-3-8(4-2-7)17-10-9(11(15)16)13-5-6-14-10/h1-6H,(H,15,16)
InChIKeyUFHARBGCWKPDQM-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.47
Rot. Bonds3

About 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid

3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid (PubChem CID 62703289) has the molecular formula C11H7FN2O2S and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid
PubChem CID62703289
Molecular FormulaC11H7FN2O2S
Molecular Weight250.25 g/mol
Exact Mass250.02
IUPAC Name3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ccc(F)cc1
InChIInChI=1S/C11H7FN2O2S/c12-7-1-3-8(4-2-7)17-10-9(11(15)16)13-5-6-14-10/h1-6H,(H,15,16)
InChIKeyUFHARBGCWKPDQM-UHFFFAOYSA-N
XLogP2.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid (CID 62703289) is 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid is O=C(O)c1nccnc1Sc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid?
The InChIKey is UFHARBGCWKPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2S/c12-7-1-3-8(4-2-7)17-10-9(11(15)16)13-5-6-14-10/h1-6H,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid?
3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 62703289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).