1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one

C14H12F3NO2 — CID 110005116

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ccc(CO)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)12-5-6-13(20)18(8-12)7-10-1-3-11(9-19)4-2-10/h1-6,8,19H,7,9H2
InChIKeyRJCHCANFMNRYOU-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.41
Rot. Bonds3

About 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 110005116) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID110005116
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ccc(CO)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)12-5-6-13(20)18(8-12)7-10-1-3-11(9-19)4-2-10/h1-6,8,19H,7,9H2
InChIKeyRJCHCANFMNRYOU-UHFFFAOYSA-N
XLogP2.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxylic acid
CID 1486029
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
1-(4-(Hydroxymethyl)benzyl)pyridin-2(1H)-one
CID 90280157
tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 53342230
6-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,6-Dihydro-3-Pyridinecarboxylic Acid
CID 2775910
Piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol
CID 19040911
1-benzyl-5-hydroxy-4-(2,2,2-trifluoroethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 57743033
2,2,2-Trifluoro-N-[hydroxy(phenyl)methyl]acetamide
CID 59427147
5-Fluoro-1-(2-hydroxy-1,2-diphenylethyl)pyridin-2-one
CID 59774535
3-Fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 63074770
[4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methanol
CID 67046264
[3-Fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid
CID 67479420

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 110005116) is 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1ccc(CO)cc1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is RJCHCANFMNRYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)12-5-6-13(20)18(8-12)7-10-1-3-11(9-19)4-2-10/h1-6,8,19H,7,9H2.
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 110005116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).