5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one

C7H6F3NO3 — CID 131214048

IUPAC5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(OC(F)(F)F)c1O
InChIInChI=1S/C7H6F3NO3/c1-3-6(13)4(2-5(12)11-3)14-7(8,9)10/h2,13H,1H3,(H,11,12)
InChIKeyZLRNEDSVNCFJEJ-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.29
Rot. Bonds1

About 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one

5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 131214048) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID131214048
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(OC(F)(F)F)c1O
InChIInChI=1S/C7H6F3NO3/c1-3-6(13)4(2-5(12)11-3)14-7(8,9)10/h2,13H,1H3,(H,11,12)
InChIKeyZLRNEDSVNCFJEJ-UHFFFAOYSA-N
XLogP1.29
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
methyl 6-oxo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134664543
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134679073
6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130112200
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993
4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
CID 144770894
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 131214048) is 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one is Cc1[nH]c(=O)cc(OC(F)(F)F)c1O.
What is the InChIKey of 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is ZLRNEDSVNCFJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-3-6(13)4(2-5(12)11-3)14-7(8,9)10/h2,13H,1H3,(H,11,12).
What are the key properties of 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one?
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 209.12 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 131214048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).