2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

C10H12F3NO3 — CID 46178136

IUPAC2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(C)(C)O)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO3/c1-9(2,16)8-7(17-3)5(15)4-6(14-8)10(11,12)13/h4,16H,1-3H3,(H,14,15)
InChIKeyXMEGXOADPBKBGM-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.63
Rot. Bonds2

About 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 46178136) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID46178136
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(C)(C)O)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO3/c1-9(2,16)8-7(17-3)5(15)4-6(14-8)10(11,12)13/h4,16H,1-3H3,(H,14,15)
InChIKeyXMEGXOADPBKBGM-UHFFFAOYSA-N
XLogP1.63
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (CID 46178136) is 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is COc1c(C(C)(C)O)[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is XMEGXOADPBKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-9(2,16)8-7(17-3)5(15)4-6(14-8)10(11,12)13/h4,16H,1-3H3,(H,14,15).
What are the key properties of 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 251.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 46178136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).