2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one

C6HF6NO — CID 175431252

IUPAC2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(F)c(F)[nH]c(C(F)(F)F)c1F
InChIInChI=1S/C6HF6NO/c7-1-3(14)2(8)5(9)13-4(1)6(10,11)12/h(H,13,14)
InChIKeyJVRQXIWACGBQAN-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.81
Rot. Bonds

About 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one

2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 175431252) has the molecular formula C6HF6NO and a molecular weight of 217.07 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID175431252
Molecular FormulaC6HF6NO
Molecular Weight217.07 g/mol
Exact Mass217.00
IUPAC Name2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(F)c(F)[nH]c(C(F)(F)F)c1F
InChIInChI=1S/C6HF6NO/c7-1-3(14)2(8)5(9)13-4(1)6(10,11)12/h(H,13,14)
InChIKeyJVRQXIWACGBQAN-UHFFFAOYSA-N
XLogP1.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one (CID 175431252) is 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(F)c(F)[nH]c(C(F)(F)F)c1F.
What is the InChIKey of 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is JVRQXIWACGBQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF6NO/c7-1-3(14)2(8)5(9)13-4(1)6(10,11)12/h(H,13,14).
What are the key properties of 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 217.07 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 175431252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).