5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

C13H10F3NO3 — CID 133091674

IUPAC5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)20-10-3-1-2-9(5-10)11-4-8(7-18)6-17-12(11)19/h1-6,18H,7H2,(H,17,19)
InChIKeyWFRNNAYSTRATOG-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.43
Rot. Bonds3

About 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 133091674) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID133091674
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)20-10-3-1-2-9(5-10)11-4-8(7-18)6-17-12(11)19/h1-6,18H,7H2,(H,17,19)
InChIKeyWFRNNAYSTRATOG-UHFFFAOYSA-N
XLogP2.43
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091648
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
CID 134622576
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466
1-[2-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl]ethanone
CID 154688990
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091653
[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol
CID 142704333
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
CID 131870509
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 133091674) is 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is O=c1[nH]cc(CO)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is WFRNNAYSTRATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)20-10-3-1-2-9(5-10)11-4-8(7-18)6-17-12(11)19/h1-6,18H,7H2,(H,17,19).
What are the key properties of 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 285.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).