3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one

C12H8F3NOS — CID 162406246

IUPAC3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1Sc1ccccc1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)8-6-10(11(17)16-7-8)18-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChIKeyQJJUDBIBBXUVDJ-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.54
Rot. Bonds2

About 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one

3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 162406246) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID162406246
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1Sc1ccccc1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)8-6-10(11(17)16-7-8)18-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChIKeyQJJUDBIBBXUVDJ-UHFFFAOYSA-N
XLogP3.54
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one (CID 162406246) is 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QJJUDBIBBXUVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)8-6-10(11(17)16-7-8)18-9-4-2-1-3-5-9/h1-7H,(H,16,17).
What are the key properties of 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one?
3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 271.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 162406246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).