4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H6F3NO3 — CID 130971504

IUPAC4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(O)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F3NO3/c1-3-2-4(12)5(6(13)11-3)14-7(8,9)10/h2H,1H3,(H2,11,12,13)
InChIKeyQWJONCSLRZMBCS-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.29
Rot. Bonds1

About 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one

4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130971504) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130971504
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(O)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F3NO3/c1-3-2-4(12)5(6(13)11-3)14-7(8,9)10/h2H,1H3,(H2,11,12,13)
InChIKeyQWJONCSLRZMBCS-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130971504) is 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one is Cc1cc(O)c(OC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is QWJONCSLRZMBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-3-2-4(12)5(6(13)11-3)14-7(8,9)10/h2H,1H3,(H2,11,12,13).
What are the key properties of 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-hydroxy-6-methyl-3-(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 4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).