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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Related Compounds

4-hydroxy-3-propan-2-ylpyrano[3,2-b]pyridin-2-one
CID 110272868
3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 11439118
7-hydroxy-17,17-dimethyl-6-[2-(trifluoromethyl)phenyl]sulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11,13,15-hexaene-5,9-dione
CID 59241561
6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59241873
[2-oxo-3-[2-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-yl] methanesulfonate
CID 52932785
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine
CID 143408387
2-[2-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62315096
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536
2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride
CID 22155981
6-(2-fluorophenyl)sulfanyl-7-hydroxy-17,17-dimethyl-14-(trifluoromethyl)-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59241356
chromeno[3,4-b]pyrazin-5-one
CID 691239
potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
CID 135392885

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).