2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one

C6H3F4NO — CID 118704284

IUPAC2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(F)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C6H3F4NO/c7-5-2-3(12)1-4(11-5)6(8,9)10/h1-2H,(H,11,12)
InChIKeyUJCUTUPLSYALPK-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.53
Rot. Bonds

About 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one

2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118704284) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118704284
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(F)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C6H3F4NO/c7-5-2-3(12)1-4(11-5)6(8,9)10/h1-2H,(H,11,12)
InChIKeyUJCUTUPLSYALPK-UHFFFAOYSA-N
XLogP1.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.53
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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Related Compounds

2,6-Bis(trifluoromethyl)-4-pyridinol
CID 595786
4-Amino-5,5,5-trifluoropent-3-en-2-one
CID 71405006
(Z)-4-Amino-5,5,5-trifluoro-3-penten-2-one
CID 12586188
4-Amino-5,5,6,6,6-pentafluorohex-3-en-2-one
CID 73176916
beta-Amino-beta-trifluoromethylvinyl ketone
CID 129879546
4-Oxo-2-pentene-2-amine, 1,1,1,5,5,5-hexafluoro-, (E)-
CID 5372443
4-Amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one
CID 586812
2-Chloro-6-(trifluoromethyl)pyridin-4-ol
CID 73554452
(E)-1,1,1,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylamino)but-3-en-2-one
CID 163789918
2,3,5-trifluoro-6-(trifluoromethyl)-1H-pyridin-4-one
CID 175431252
6-chloro-3-fluoro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 178769153
4-Amino-5,5,6,6,6-pentafluoro-3-hexen-2-one
CID 12869246

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118704284) is 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(F)[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is UJCUTUPLSYALPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-5-2-3(12)1-4(11-5)6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one?
2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 181.09 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118704284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).