6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid

C12H8FNO2S — CID 62239730

IUPAC6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Sc2ccccc2F)n1
InChIInChI=1S/C12H8FNO2S/c13-8-4-1-2-6-10(8)17-11-7-3-5-9(14-11)12(15)16/h1-7H,(H,15,16)
InChIKeyYRRHRKFMKWURQY-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.07
Rot. Bonds3

About 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid

6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 62239730) has the molecular formula C12H8FNO2S and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID62239730
Molecular FormulaC12H8FNO2S
Molecular Weight249.27 g/mol
Exact Mass249.03
IUPAC Name6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Sc2ccccc2F)n1
InChIInChI=1S/C12H8FNO2S/c13-8-4-1-2-6-10(8)17-11-7-3-5-9(14-11)12(15)16/h1-7H,(H,15,16)
InChIKeyYRRHRKFMKWURQY-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid (CID 62239730) is 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid is O=C(O)c1cccc(Sc2ccccc2F)n1.
What is the InChIKey of 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is YRRHRKFMKWURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2S/c13-8-4-1-2-6-10(8)17-11-7-3-5-9(14-11)12(15)16/h1-7H,(H,15,16).
What are the key properties of 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 62239730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).