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

C13H10F3NO — CID 133091903

IUPAC4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c1-8-5-6-17-12(18)11(8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyXSGWBZWPESEWMN-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.37
Rot. Bonds1

About 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one

4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133091903) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133091903
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c1-8-5-6-17-12(18)11(8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyXSGWBZWPESEWMN-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 154040816
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one
CID 162503154
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
4-methyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 69089454
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
(1R,5S)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]bicyclo[3.2.1]octane-2,4-dione
CID 90722662

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133091903) is 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is XSGWBZWPESEWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8-5-6-17-12(18)11(8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).