3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one

C13H11F2NO2 — CID 177191339

IUPAC3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(F)cccn1Cc1ccc(CO)cc1F
InChIInChI=1S/C13H11F2NO2/c14-11-2-1-5-16(13(11)18)7-10-4-3-9(8-17)6-12(10)15/h1-6,17H,7-8H2
InChIKeySNLSCDOSVHBDEH-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.67
Rot. Bonds3

About 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one

3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (PubChem CID 177191339) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
PubChem CID177191339
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(F)cccn1Cc1ccc(CO)cc1F
InChIInChI=1S/C13H11F2NO2/c14-11-2-1-5-16(13(11)18)7-10-4-3-9(8-17)6-12(10)15/h1-6,17H,7-8H2
InChIKeySNLSCDOSVHBDEH-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (CID 177191339) is 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is O=c1c(F)cccn1Cc1ccc(CO)cc1F.
What is the InChIKey of 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is SNLSCDOSVHBDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-11-2-1-5-16(13(11)18)7-10-4-3-9(8-17)6-12(10)15/h1-6,17H,7-8H2.
What are the key properties of 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
3-fluoro-1-[[2-fluoro-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 3-fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 177191339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).