6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one

C14H9F6NO — CID 72931524

IUPAC6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9F6NO/c1-7-2-9(14(18,19)20)5-12(22)21(7)6-8-3-10(15)13(17)11(16)4-8/h2-5H,6H2,1H3
InChIKeyABJOTYSPPIBIBU-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.64
Rot. Bonds2

About 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one

6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one (PubChem CID 72931524) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
PubChem CID72931524
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9F6NO/c1-7-2-9(14(18,19)20)5-12(22)21(7)6-8-3-10(15)13(17)11(16)4-8/h2-5H,6H2,1H3
InChIKeyABJOTYSPPIBIBU-UHFFFAOYSA-N
XLogP3.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one (CID 72931524) is 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
The InChIKey is ABJOTYSPPIBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c1-7-2-9(14(18,19)20)5-12(22)21(7)6-8-3-10(15)13(17)11(16)4-8/h2-5H,6H2,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one?
6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one has a molecular weight of 321.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 72931524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).