1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one

C13H10F3NO — CID 135072149

IUPAC1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H10F3NO/c1-17-8-10(4-7-12(17)18)9-2-5-11(6-3-9)13(14,15)16/h2-8H,1H3
InChIKeyFJPBIPNTLHUIOY-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.07
Rot. Bonds1

About 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 135072149) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID135072149
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H10F3NO/c1-17-8-10(4-7-12(17)18)9-2-5-11(6-3-9)13(14,15)16/h2-8H,1H3
InChIKeyFJPBIPNTLHUIOY-UHFFFAOYSA-N
XLogP3.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 135072149) is 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cn1cc(-c2ccc(C(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is FJPBIPNTLHUIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-17-8-10(4-7-12(17)18)9-2-5-11(6-3-9)13(14,15)16/h2-8H,1H3.
What are the key properties of 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 135072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).