6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid

C13H8F3NO2S — CID 70655240

IUPAC6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid
SMILESCSc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1
InChIInChI=1S/C13H8F3NO2S/c1-20-6-4-8(15)11(9(16)5-6)12-7(14)2-3-10(17-12)13(18)19/h2-5H,1H3,(H,18,19)
InChIKeyJRNXQRUGMSHETG-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.59
Rot. Bonds3

About 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid

6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 70655240) has the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID70655240
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Exact Mass299.02
IUPAC Name6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid
SMILESCSc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1
InChIInChI=1S/C13H8F3NO2S/c1-20-6-4-8(15)11(9(16)5-6)12-7(14)2-3-10(17-12)13(18)19/h2-5H,1H3,(H,18,19)
InChIKeyJRNXQRUGMSHETG-UHFFFAOYSA-N
XLogP3.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid (CID 70655240) is 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid is CSc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is JRNXQRUGMSHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2S/c1-20-6-4-8(15)11(9(16)5-6)12-7(14)2-3-10(17-12)13(18)19/h2-5H,1H3,(H,18,19).
What are the key properties of 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid?
6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 70655240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).