5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid

C11H6F3NO3S — CID 62206914

IUPAC5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H6F3NO3S/c12-11(13,14)6-1-3-8(15-5-6)19-9-4-2-7(18-9)10(16)17/h1-5H,(H,16,17)
InChIKeyCXEKHLVYRRFALL-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.54
Rot. Bonds3

About 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid

5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid (PubChem CID 62206914) has the molecular formula C11H6F3NO3S and a molecular weight of 289.23 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid
PubChem CID62206914
Molecular FormulaC11H6F3NO3S
Molecular Weight289.23 g/mol
Exact Mass289.00
IUPAC Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H6F3NO3S/c12-11(13,14)6-1-3-8(15-5-6)19-9-4-2-7(18-9)10(16)17/h1-5H,(H,16,17)
InChIKeyCXEKHLVYRRFALL-UHFFFAOYSA-N
XLogP3.54
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid (CID 62206914) is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid is O=C(O)c1ccc(Sc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid?
The InChIKey is CXEKHLVYRRFALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3S/c12-11(13,14)6-1-3-8(15-5-6)19-9-4-2-7(18-9)10(16)17/h1-5H,(H,16,17).
What are the key properties of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid?
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid has a molecular weight of 289.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 62206914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).