1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C14H12F3NO2 — CID 118717083

IUPAC1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(Cc2ccc(C(F)(F)F)cc2)n(O)c(=O)c1
InChIInChI=1S/C14H12F3NO2/c1-9-6-12(18(20)13(19)7-9)8-10-2-4-11(5-3-10)14(15,16)17/h2-7,20H,8H2,1H3
InChIKeyLNDUZSXCDNZHTQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.00
Rot. Bonds2

About 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 118717083) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID118717083
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(Cc2ccc(C(F)(F)F)cc2)n(O)c(=O)c1
InChIInChI=1S/C14H12F3NO2/c1-9-6-12(18(20)13(19)7-9)8-10-2-4-11(5-3-10)14(15,16)17/h2-7,20H,8H2,1H3
InChIKeyLNDUZSXCDNZHTQ-UHFFFAOYSA-N
XLogP3.00
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Benzyl-1-Hydroxy-4-Methylpyridin-2(1h)-One
CID 13590964
6-phenyl-4-methyl-1-hydroxypyridin-2(1H)-one
CID 13590965
6-Benzyl-1-hydroxypyridin-2-one
CID 71816677
6-Benzyl-1,4-dihydroxypyridin-2-one
CID 101884792
1-Hydroxy-4-methyl-6-[(3-phenylphenyl)methyl]pyridin-2-one
CID 118717085
1-Hydroxy-4-methyl-6-(4-phenylphenyl)pyridin-2-one
CID 132961588
1-Hydroxy-4-methyl-6-[4-(2-methylphenyl)phenyl]pyridin-2-one
CID 132961589
6-[4-(4-Tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
CID 132961590
1-Hydroxy-4-methyl-6-[(2-phenylphenyl)methyl]pyridin-2-one
CID 168269956
1-Hydroxy-4-methyl-6-[(4-phenylphenyl)methyl]pyridin-2-one
CID 168279048
6-Cyclohexyl-1-hydroxy-4-phenylpyridin-2-one
CID 168281422
6-(Cyclohexylmethyl)-1-hydroxy-4-(3-methylphenyl)pyridin-2-one
CID 168286617

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 118717083) is 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is Cc1cc(Cc2ccc(C(F)(F)F)cc2)n(O)c(=O)c1.
What is the InChIKey of 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is LNDUZSXCDNZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-6-12(18(20)13(19)7-9)8-10-2-4-11(5-3-10)14(15,16)17/h2-7,20H,8H2,1H3.
What are the key properties of 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 118717083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).