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

C13H11F2NO2 — CID 118212736

IUPAC1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1cc(F)c(CO)cc1F
InChIInChI=1S/C13H11F2NO2/c14-11-6-10(8-17)12(15)5-9(11)7-16-4-2-1-3-13(16)18/h1-6,17H,7-8H2
InChIKeyRSJYPHNEVVPLOI-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.67
Rot. Bonds3

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

1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (PubChem CID 118212736) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
PubChem CID118212736
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1cc(F)c(CO)cc1F
InChIInChI=1S/C13H11F2NO2/c14-11-6-10(8-17)12(15)5-9(11)7-16-4-2-1-3-13(16)18/h1-6,17H,7-8H2
InChIKeyRSJYPHNEVVPLOI-UHFFFAOYSA-N
XLogP1.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.67
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
3-Fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 63074770
1-[1,2-Bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one
CID 67445855
[3-Fluoro-4-(hydroxymethyl)phenyl]methyl-methylcarbamic acid
CID 67479420
1-[(4-Chloro-2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)phenyl]pyridin-2-one
CID 69440481
1-[(3,4-Difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
CID 69443479
1-[3-(2,2-dimethylpropyl)-4-[2-fluoro-4-(hydroxymethyl)phenyl]-1-methyl-2H-imidazol-2-yl]pyridin-2-one
CID 89735222
1-(4-(hydroxymethyl)benzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 110005116
N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
CID 118212468
Methyl 1-[[2,3-difluoro-4-(hydroxymethyl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118212556

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (CID 118212736) is 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is O=c1ccccn1Cc1cc(F)c(CO)cc1F.
What is the InChIKey of 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is RSJYPHNEVVPLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-11-6-10(8-17)12(15)5-9(11)7-16-4-2-1-3-13(16)18/h1-6,17H,7-8H2.
What are the key properties of 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 251.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 118212736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).