3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one

C12H8F3NO — CID 83129767

IUPAC3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one
SMILESCc1cc(-c2cc(F)c(F)cc2F)c[nH]c1=O
InChIInChI=1S/C12H8F3NO/c1-6-2-7(5-16-12(6)17)8-3-10(14)11(15)4-9(8)13/h2-5H,1H3,(H,16,17)
InChIKeyJSQFEEDOPCRKKI-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.77
Rot. Bonds1

About 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one

3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one (PubChem CID 83129767) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one
PubChem CID83129767
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one
SMILESCc1cc(-c2cc(F)c(F)cc2F)c[nH]c1=O
InChIInChI=1S/C12H8F3NO/c1-6-2-7(5-16-12(6)17)8-3-10(14)11(15)4-9(8)13/h2-5H,1H3,(H,16,17)
InChIKeyJSQFEEDOPCRKKI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one (CID 83129767) is 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one is Cc1cc(-c2cc(F)c(F)cc2F)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one?
The InChIKey is JSQFEEDOPCRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c1-6-2-7(5-16-12(6)17)8-3-10(14)11(15)4-9(8)13/h2-5H,1H3,(H,16,17).
What are the key properties of 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one?
3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one has a molecular weight of 239.20 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 83129767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).