6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C12H7F4NO — CID 122358380

IUPAC6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(C(F)(F)F)ccc2F)[nH]1
InChIInChI=1S/C12H7F4NO/c13-9-5-4-7(12(14,15)16)6-8(9)10-2-1-3-11(18)17-10/h1-6H,(H,17,18)
InChIKeySEGZIYRFXJKFDR-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.20
Rot. Bonds1

About 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one

6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 122358380) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID122358380
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(C(F)(F)F)ccc2F)[nH]1
InChIInChI=1S/C12H7F4NO/c13-9-5-4-7(12(14,15)16)6-8(9)10-2-1-3-11(18)17-10/h1-6H,(H,17,18)
InChIKeySEGZIYRFXJKFDR-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,5-difluorophenyl)-1H-pyridin-2-one
CID 53217702
6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 53218223
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
CID 163399751
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
6-(2,6-difluoro-3-methylphenyl)-1H-pyridin-2-one
CID 106520845
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847736
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19657053

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 122358380) is 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1cccc(-c2cc(C(F)(F)F)ccc2F)[nH]1.
What is the InChIKey of 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is SEGZIYRFXJKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-9-5-4-7(12(14,15)16)6-8(9)10-2-1-3-11(18)17-10/h1-6H,(H,17,18).
What are the key properties of 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 257.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122358380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).