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

C12H8F3NO — CID 10037236

IUPAC5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cccc(C(F)(F)F)c2)c[nH]1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-3-1-2-8(6-10)9-4-5-11(17)16-7-9/h1-7H,(H,16,17)
InChIKeyGWWMDPRPYQRAHD-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.06
Rot. Bonds1

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

5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 10037236) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID10037236
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cccc(C(F)(F)F)c2)c[nH]1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-3-1-2-8(6-10)9-4-5-11(17)16-7-9/h1-7H,(H,16,17)
InChIKeyGWWMDPRPYQRAHD-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 10037236) is 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2cccc(C(F)(F)F)c2)c[nH]1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is GWWMDPRPYQRAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)10-3-1-2-8(6-10)9-4-5-11(17)16-7-9/h1-7H,(H,16,17).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 239.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 10037236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).