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

C8H8F3NO — CID 11217738

IUPAC2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1[nH]c(C(F)(F)F)cc(=O)c1C
InChIInChI=1S/C8H8F3NO/c1-4-5(2)12-7(3-6(4)13)8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyWDJHLKAMNQIOPW-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.01
Rot. Bonds

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

2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 11217738) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID11217738
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1[nH]c(C(F)(F)F)cc(=O)c1C
InChIInChI=1S/C8H8F3NO/c1-4-5(2)12-7(3-6(4)13)8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyWDJHLKAMNQIOPW-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 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one (CID 11217738) is 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one is Cc1[nH]c(C(F)(F)F)cc(=O)c1C.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is WDJHLKAMNQIOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-5(2)12-7(3-6(4)13)8(9,10)11/h3H,1-2H3,(H,12,13).
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one?
2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-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 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 11217738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).