6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C13H10F3NO2 — CID 133091890

IUPAC6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(CO)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-4-2-1-3-9(11)10-6-5-8(7-18)17-12(10)19/h1-6,18H,7H2,(H,17,19)
InChIKeyDONROBYEXHKRNG-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.55
Rot. Bonds2

About 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133091890) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133091890
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(CO)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-4-2-1-3-9(11)10-6-5-8(7-18)17-12(10)19/h1-6,18H,7H2,(H,17,19)
InChIKeyDONROBYEXHKRNG-UHFFFAOYSA-N
XLogP2.55
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133091890) is 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1[nH]c(CO)ccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is DONROBYEXHKRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)11-4-2-1-3-9(11)10-6-5-8(7-18)17-12(10)19/h1-6,18H,7H2,(H,17,19).
What are the key properties of 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 269.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).