4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one

C6H6FNO2 — CID 58047412

IUPAC4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(F)c(CO)c[nH]1
InChIInChI=1S/C6H6FNO2/c7-5-1-6(10)8-2-4(5)3-9/h1-2,9H,3H2,(H,8,10)
InChIKeyGDOONCYUEGNDGU-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.01
Rot. Bonds1

About 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one

4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 58047412) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID58047412
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(F)c(CO)c[nH]1
InChIInChI=1S/C6H6FNO2/c7-5-1-6(10)8-2-4(5)3-9/h1-2,9H,3H2,(H,8,10)
InChIKeyGDOONCYUEGNDGU-UHFFFAOYSA-N
XLogP0.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one (CID 58047412) is 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(F)c(CO)c[nH]1.
What is the InChIKey of 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is GDOONCYUEGNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-5-1-6(10)8-2-4(5)3-9/h1-2,9H,3H2,(H,8,10).
What are the key properties of 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 143.12 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 58047412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).