2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

C8H6F5NO2 — CID 118820372

IUPAC2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C8H6F5NO2/c1-3-5(7(9)10)14-2-4(6(3)15)16-8(11,12)13/h2,7H,1H3,(H,14,15)
InChIKeyBEZHZCYGDBTWDA-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.52
Rot. Bonds2

About 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118820372) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118820372
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C8H6F5NO2/c1-3-5(7(9)10)14-2-4(6(3)15)16-8(11,12)13/h2,7H,1H3,(H,14,15)
InChIKeyBEZHZCYGDBTWDA-UHFFFAOYSA-N
XLogP2.52
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 118820372) is 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is Cc1c(C(F)F)[nH]cc(OC(F)(F)F)c1=O.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is BEZHZCYGDBTWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-3-5(7(9)10)14-2-4(6(3)15)16-8(11,12)13/h2,7H,1H3,(H,14,15).
What are the key properties of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 243.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118820372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).