2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone

C15H12F3NO2 — CID 58148138

IUPAC2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCc1ccc(O)c(CC(=O)c2ccncc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO2/c1-9-2-3-13(20)10(6-9)7-14(21)11-4-5-19-8-12(11)15(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyLSEXKVWYQYBODH-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone

2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone (PubChem CID 58148138) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone
PubChem CID58148138
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone
SMILESCc1ccc(O)c(CC(=O)c2ccncc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO2/c1-9-2-3-13(20)10(6-9)7-14(21)11-4-5-19-8-12(11)15(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyLSEXKVWYQYBODH-UHFFFAOYSA-N
XLogP3.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Pyridin-3-yl)benzoic acid
CID 2795575
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
3-(Pyridin-4-yl)benzoic acid
CID 2795562
CA standard inhibitor, 2
CID 19564789
1-(2-Hydroxyphenyl)-3-(4-pyridinyl)-1-propanone
CID 44204990
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5819759
(E)-1-(3-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 16304855
3-Hydroxy-1-(2-hydroxyphenyl)-3-(pyridin-4-yl)propan-1-one
CID 242178
3-hydroxy-2-(pyridin-4-yl)-1H-inden-1-one
CID 666159
5-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one
CID 15072948
(2E)-5-hydroxy-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 168279809

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone (CID 58148138) is 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone is Cc1ccc(O)c(CC(=O)c2ccncc2C(F)(F)F)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone?
The InChIKey is LSEXKVWYQYBODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9-2-3-13(20)10(6-9)7-14(21)11-4-5-19-8-12(11)15(16,17)18/h2-6,8,20H,7H2,1H3.
What are the key properties of 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone?
2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone has a molecular weight of 295.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 58148138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).