3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one

C19H14F3NO5S — CID 143656673

IUPAC3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one
SMILESO=c1c(O)cccn1CS(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H14F3NO5S/c20-19(21,22)28-15-5-3-13(4-6-15)27-14-7-9-16(10-8-14)29(26)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
InChIKeyPXTFFBRKFNTSMA-UHFFFAOYSA-N
MW425.38 g/mol
LogP4.01
Rot. Bonds6

About 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one

3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one (PubChem CID 143656673) has the molecular formula C19H14F3NO5S and a molecular weight of 425.38 g/mol. Its IUPAC name is 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one
PubChem CID143656673
Molecular FormulaC19H14F3NO5S
Molecular Weight425.38 g/mol
Exact Mass425.05
IUPAC Name3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one
SMILESO=c1c(O)cccn1CS(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H14F3NO5S/c20-19(21,22)28-15-5-3-13(4-6-15)27-14-7-9-16(10-8-14)29(26)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
InChIKeyPXTFFBRKFNTSMA-UHFFFAOYSA-N
XLogP4.01
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
ethyl 2-[4-(trifluoromethoxy)phenoxy]-1H-indole-3-carboxylate
CID 159808887
(E)-4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 87333465
4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 90952053
methyl 2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfanylacetate
CID 11142882
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
CID 116624187
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one (CID 143656673) is 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one is O=c1c(O)cccn1CS(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one?
The InChIKey is PXTFFBRKFNTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO5S/c20-19(21,22)28-15-5-3-13(4-6-15)27-14-7-9-16(10-8-14)29(26)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2.
What are the key properties of 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one?
3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one has a molecular weight of 425.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one is sourced from PubChem (CID 143656673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).