5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C13H7F6NO — CID 133092027

IUPAC5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F6NO/c14-12(15,16)7-5-9(11(21)20-6-7)8-3-1-2-4-10(8)13(17,18)19/h1-6H,(H,20,21)
InChIKeyRUWXIBUAOXSLGB-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds1

About 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133092027) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133092027
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F6NO/c14-12(15,16)7-5-9(11(21)20-6-7)8-3-1-2-4-10(8)13(17,18)19/h1-6H,(H,20,21)
InChIKeyRUWXIBUAOXSLGB-UHFFFAOYSA-N
XLogP4.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948
3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 46312797
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one
CID 169256905
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 134620536
3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133091756

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133092027) is 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is RUWXIBUAOXSLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)7-5-9(11(21)20-6-7)8-3-1-2-4-10(8)13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 307.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133092027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).