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

C7H6F3NO2 — CID 118704402

IUPAC4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-2-11-6(13)1-4(5)3-12/h1-2,12H,3H2,(H,11,13)
InChIKeyCWQOHGDZADVISF-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.89
Rot. Bonds1

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

4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704402) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704402
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-2-11-6(13)1-4(5)3-12/h1-2,12H,3H2,(H,11,13)
InChIKeyCWQOHGDZADVISF-UHFFFAOYSA-N
XLogP0.89
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118704402) is 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(CO)c(C(F)(F)F)c[nH]1.
What is the InChIKey of 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CWQOHGDZADVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-2-11-6(13)1-4(5)3-12/h1-2,12H,3H2,(H,11,13).
What are the key properties of 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).