6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol

C15H10F3NO3S — CID 57345399

IUPAC6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol
SMILESO=S1(=O)Cc2cccnc2C(O)=C1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3NO3S/c16-15(17,18)11-6-2-1-5-10(11)14-13(20)12-9(4-3-7-19-12)8-23(14,21)22/h1-7,20H,8H2
InChIKeyVLRUTRGTTHZTPL-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.41
Rot. Bonds1

About 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol

6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol (PubChem CID 57345399) has the molecular formula C15H10F3NO3S and a molecular weight of 341.31 g/mol. Its IUPAC name is 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol.

Molecular Properties

Compound Name6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol
PubChem CID57345399
Molecular FormulaC15H10F3NO3S
Molecular Weight341.31 g/mol
Exact Mass341.03
IUPAC Name6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol
SMILESO=S1(=O)Cc2cccnc2C(O)=C1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3NO3S/c16-15(17,18)11-6-2-1-5-10(11)14-13(20)12-9(4-3-7-19-12)8-23(14,21)22/h1-7,20H,8H2
InChIKeyVLRUTRGTTHZTPL-UHFFFAOYSA-N
XLogP3.41
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol?
The IUPAC name of 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol (CID 57345399) is 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol.
What is the SMILES notation for 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol?
The canonical SMILES for 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol is O=S1(=O)Cc2cccnc2C(O)=C1c1ccccc1C(F)(F)F.
What is the InChIKey of 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol?
The InChIKey is VLRUTRGTTHZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO3S/c16-15(17,18)11-6-2-1-5-10(11)14-13(20)12-9(4-3-7-19-12)8-23(14,21)22/h1-7,20H,8H2.
What are the key properties of 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol?
6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol has a molecular weight of 341.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-7-[2-(trifluoromethyl)phenyl]-5H-thiopyrano[4,3-b]pyridin-8-ol is sourced from PubChem (CID 57345399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).