6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid

C10H6F5NO2S — CID 99109910

IUPAC6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(S(F)(F)(F)(F)F)cc2c1
InChIInChI=1S/C10H6F5NO2S/c11-19(12,13,14,15)8-1-2-9-6(4-8)3-7(5-16-9)10(17)18/h1-5H,(H,17,18)
InChIKeyKLSJNWBJQWCYDO-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.59
Rot. Bonds2

About 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid

6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid (PubChem CID 99109910) has the molecular formula C10H6F5NO2S and a molecular weight of 299.22 g/mol. Its IUPAC name is 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid
PubChem CID99109910
Molecular FormulaC10H6F5NO2S
Molecular Weight299.22 g/mol
Exact Mass299.00
IUPAC Name6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(S(F)(F)(F)(F)F)cc2c1
InChIInChI=1S/C10H6F5NO2S/c11-19(12,13,14,15)8-1-2-9-6(4-8)3-7(5-16-9)10(17)18/h1-5H,(H,17,18)
InChIKeyKLSJNWBJQWCYDO-UHFFFAOYSA-N
XLogP4.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid?
The IUPAC name of 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid (CID 99109910) is 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid?
The canonical SMILES for 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccc(S(F)(F)(F)(F)F)cc2c1.
What is the InChIKey of 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid?
The InChIKey is KLSJNWBJQWCYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5NO2S/c11-19(12,13,14,15)8-1-2-9-6(4-8)3-7(5-16-9)10(17)18/h1-5H,(H,17,18).
What are the key properties of 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid?
6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid has a molecular weight of 299.22 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentafluoro-λ6-sulfanyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 99109910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).