3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

C9H8F3NO2 — CID 142690637

IUPAC3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(=O)c1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C9H8F3NO2/c1-4-3-6(9(10,11)12)7(5(2)14)8(15)13-4/h3H,1-2H3,(H,13,15)
InChIKeyVRGZCNWNJBNMRA-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.90
Rot. Bonds1

About 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 142690637) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID142690637
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(=O)c1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C9H8F3NO2/c1-4-3-6(9(10,11)12)7(5(2)14)8(15)13-4/h3H,1-2H3,(H,13,15)
InChIKeyVRGZCNWNJBNMRA-UHFFFAOYSA-N
XLogP1.90
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 142690637) is 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is CC(=O)c1c(C(F)(F)F)cc(C)[nH]c1=O.
What is the InChIKey of 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VRGZCNWNJBNMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4-3-6(9(10,11)12)7(5(2)14)8(15)13-4/h3H,1-2H3,(H,13,15).
What are the key properties of 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 219.16 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 142690637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).