5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one

C13H9F4NO — CID 107290813

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(F)c(C(F)(F)F)c2)c[nH]c1=O
InChIInChI=1S/C13H9F4NO/c1-7-4-9(6-18-12(7)19)8-2-3-11(14)10(5-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyPVONLTBIFKRBIU-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.51
Rot. Bonds1

About 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one

5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one (PubChem CID 107290813) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one
PubChem CID107290813
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(F)c(C(F)(F)F)c2)c[nH]c1=O
InChIInChI=1S/C13H9F4NO/c1-7-4-9(6-18-12(7)19)8-2-3-11(14)10(5-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyPVONLTBIFKRBIU-UHFFFAOYSA-N
XLogP3.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
3-methyl-5-(2,4,5-trifluorophenyl)-1H-pyridin-2-one
CID 83129767
6-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 107292674
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
6-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 107292703

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one (CID 107290813) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one is Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)c[nH]c1=O.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is PVONLTBIFKRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c1-7-4-9(6-18-12(7)19)8-2-3-11(14)10(5-8)13(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one?
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 271.21 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 107290813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).