4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one

C8H8F3NO — CID 166536053

IUPAC4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-4-3-6(13)12-5(2)7(4)8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyPBWHMCWVFSTNBD-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.01
Rot. Bonds

About 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one

4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 166536053) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID166536053
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-4-3-6(13)12-5(2)7(4)8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyPBWHMCWVFSTNBD-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 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one (CID 166536053) is 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(=O)[nH]c(C)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PBWHMCWVFSTNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-3-6(13)12-5(2)7(4)8(9,10)11/h3H,1-2H3,(H,12,13).
What are the key properties of 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one?
4,6-dimethyl-5-(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 4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 166536053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).