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

C13H10F3NO — CID 18439300

IUPAC3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cccn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C13H10F3NO/c1-9-4-3-7-17(12(9)18)11-6-2-5-10(8-11)13(14,15)16/h2-8H,1H3
InChIKeyKUSBEBNTIHXYBN-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.16
Rot. Bonds1

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

3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 18439300) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID18439300
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cccn(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C13H10F3NO/c1-9-4-3-7-17(12(9)18)11-6-2-5-10(8-11)13(14,15)16/h2-8H,1H3
InChIKeyKUSBEBNTIHXYBN-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 82362503
3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 88847440
5-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 58072379
(5E)-1-(2-methylphenyl)-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 21378125
(5E)-3-methyl-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126198877
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626
5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 142916061
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridine-2-thione
CID 18439312

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (CID 18439300) is 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is Cc1cccn(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is KUSBEBNTIHXYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-9-4-3-7-17(12(9)18)11-6-2-5-10(8-11)13(14,15)16/h2-8H,1H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 18439300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).