3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one

C8H8F3NO — CID 15210459

IUPAC3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(C)c(=O)[nH]1
InChIInChI=1S/C8H8F3NO/c1-4-3-6(8(9,10)11)5(2)7(13)12-4/h3H,1-2H3,(H,12,13)
InChIKeyKOWPGPOCFORABS-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.01
Rot. Bonds

About 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one

3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 15210459) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID15210459
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(C)c(=O)[nH]1
InChIInChI=1S/C8H8F3NO/c1-4-3-6(8(9,10)11)5(2)7(13)12-4/h3H,1-2H3,(H,12,13)
InChIKeyKOWPGPOCFORABS-UHFFFAOYSA-N
XLogP2.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 15210459) is 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(C)c(=O)[nH]1.
What is the InChIKey of 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KOWPGPOCFORABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-3-6(8(9,10)11)5(2)7(13)12-4/h3H,1-2H3,(H,12,13).
What are the key properties of 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 15210459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).