3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one

C20H16BrF3N2O3 — CID 11848051

IUPAC3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(OCc3cccc(C(F)(F)F)c3)cc2=O)c(=O)c1Br
InChIInChI=1S/C20H16BrF3N2O3/c1-10-17(19(28)18(21)11(2)26-10)14-8-25-16(7-15(14)27)29-9-12-4-3-5-13(6-12)20(22,23)24/h3-8H,9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySIFLLIIBOWEZRR-UHFFFAOYSA-N
MW469.26 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one

3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one (PubChem CID 11848051) has the molecular formula C20H16BrF3N2O3 and a molecular weight of 469.26 g/mol. Its IUPAC name is 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
PubChem CID11848051
Molecular FormulaC20H16BrF3N2O3
Molecular Weight469.26 g/mol
Exact Mass468.03
IUPAC Name3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2c[nH]c(OCc3cccc(C(F)(F)F)c3)cc2=O)c(=O)c1Br
InChIInChI=1S/C20H16BrF3N2O3/c1-10-17(19(28)18(21)11(2)26-10)14-8-25-16(7-15(14)27)29-9-12-4-3-5-13(6-12)20(22,23)24/h3-8H,9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySIFLLIIBOWEZRR-UHFFFAOYSA-N
XLogP4.71
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.26
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847736
3-bromo-2-ethyl-8-methyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-4-one
CID 57379959
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
ethane;5-methyl-2H-tetrazole;1-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 143095246
3-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486
2-amino-4-[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406723
4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 103009232

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The IUPAC name of 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one (CID 11848051) is 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2c[nH]c(OCc3cccc(C(F)(F)F)c3)cc2=O)c(=O)c1Br.
What is the InChIKey of 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
The InChIKey is SIFLLIIBOWEZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF3N2O3/c1-10-17(19(28)18(21)11(2)26-10)14-8-25-16(7-15(14)27)29-9-12-4-3-5-13(6-12)20(22,23)24/h3-8H,9H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one?
3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one has a molecular weight of 469.26 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethyl-5-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 11848051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).