3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one

C12H7ClF3NO2 — CID 67610653

IUPAC3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClF3NO2/c13-7-3-1-6(2-4-7)10-8(18)5-9(12(14,15)16)17-11(10)19/h1-5H,(H2,17,18,19)
InChIKeyBFQSQUILJSZVGU-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.42
Rot. Bonds1

About 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one

3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 67610653) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID67610653
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClF3NO2/c13-7-3-1-6(2-4-7)10-8(18)5-9(12(14,15)16)17-11(10)19/h1-5H,(H2,17,18,19)
InChIKeyBFQSQUILJSZVGU-UHFFFAOYSA-N
XLogP3.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one (CID 67610653) is 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BFQSQUILJSZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c13-7-3-1-6(2-4-7)10-8(18)5-9(12(14,15)16)17-11(10)19/h1-5H,(H2,17,18,19).
What are the key properties of 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 289.64 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 67610653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).