2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one

C7H3F6NO — CID 130079521

IUPAC2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-2-1-14-4(6(9)10)3(5(2)15)7(11,12)13/h1,6H,(H,14,15)
InChIKeyGPXWJMUPITVNCT-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.47
Rot. Bonds1

About 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one

2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 130079521) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID130079521
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-2-1-14-4(6(9)10)3(5(2)15)7(11,12)13/h1,6H,(H,14,15)
InChIKeyGPXWJMUPITVNCT-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 130085424
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112028
methyl 2-(difluoromethyl)-4-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 133102257
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130083354
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130082742
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130107847
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one (CID 130079521) is 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(F)c[nH]c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is GPXWJMUPITVNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-2-1-14-4(6(9)10)3(5(2)15)7(11,12)13/h1,6H,(H,14,15).
What are the key properties of 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one?
2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 231.10 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130079521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).