4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one

C15H8F3NO3S — CID 67204848

IUPAC4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one
SMILESO=c1oc2cccnc2c(O)c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F3NO3S/c16-15(17,18)8-4-1-2-6-10(8)23-13-12(20)11-9(22-14(13)21)5-3-7-19-11/h1-7,20H
InChIKeyDSYSNBKRJUWIKJ-UHFFFAOYSA-N
MW339.29 g/mol
LogP4.06
Rot. Bonds2

About 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one

4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one (PubChem CID 67204848) has the molecular formula C15H8F3NO3S and a molecular weight of 339.29 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one
PubChem CID67204848
Molecular FormulaC15H8F3NO3S
Molecular Weight339.29 g/mol
Exact Mass339.02
IUPAC Name4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one
SMILESO=c1oc2cccnc2c(O)c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F3NO3S/c16-15(17,18)8-4-1-2-6-10(8)23-13-12(20)11-9(22-14(13)21)5-3-7-19-11/h1-7,20H
InChIKeyDSYSNBKRJUWIKJ-UHFFFAOYSA-N
XLogP4.06
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one (CID 67204848) is 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one is O=c1oc2cccnc2c(O)c1Sc1ccccc1C(F)(F)F.
What is the InChIKey of 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one?
The InChIKey is DSYSNBKRJUWIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO3S/c16-15(17,18)8-4-1-2-6-10(8)23-13-12(20)11-9(22-14(13)21)5-3-7-19-11/h1-7,20H.
What are the key properties of 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one?
4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one has a molecular weight of 339.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-b]pyridin-2-one is sourced from PubChem (CID 67204848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).