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

C15H8F3NO2S — CID 52932781

IUPAC2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one
SMILESO=c1c(-c2ccccc2C(F)(F)F)c(O)sc2cccnc12
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)9-5-2-1-4-8(9)11-13(20)12-10(22-14(11)21)6-3-7-19-12/h1-7,21H
InChIKeyZNSFKQPYKJZJBL-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.05
Rot. Bonds1

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

2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one (PubChem CID 52932781) has the molecular formula C15H8F3NO2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one
PubChem CID52932781
Molecular FormulaC15H8F3NO2S
Molecular Weight323.30 g/mol
Exact Mass323.02
IUPAC Name2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one
SMILESO=c1c(-c2ccccc2C(F)(F)F)c(O)sc2cccnc12
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)9-5-2-1-4-8(9)11-13(20)12-10(22-14(11)21)6-3-7-19-12/h1-7,21H
InChIKeyZNSFKQPYKJZJBL-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one?
The IUPAC name of 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one (CID 52932781) is 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one is O=c1c(-c2ccccc2C(F)(F)F)c(O)sc2cccnc12.
What is the InChIKey of 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one?
The InChIKey is ZNSFKQPYKJZJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2S/c16-15(17,18)9-5-2-1-4-8(9)11-13(20)12-10(22-14(11)21)6-3-7-19-12/h1-7,21H.
What are the key properties of 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one?
2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one has a molecular weight of 323.30 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 52932781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).