3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one

C21H19BrFNO2 — CID 10150990

IUPAC3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2)c(Br)c1=O
InChIInChI=1S/C21H19BrFNO2/c1-13-5-4-6-14(2)20(13)24-15(3)11-18(19(22)21(24)25)26-12-16-7-9-17(23)10-8-16/h4-11H,12H2,1-3H3
InChIKeyKBFGSUTZQQUJCZ-UHFFFAOYSA-N
MW416.29 g/mol
LogP5.24
Rot. Bonds4

About 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one

3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 10150990) has the molecular formula C21H19BrFNO2 and a molecular weight of 416.29 g/mol. Its IUPAC name is 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID10150990
Molecular FormulaC21H19BrFNO2
Molecular Weight416.29 g/mol
Exact Mass415.06
IUPAC Name3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2)c(Br)c1=O
InChIInChI=1S/C21H19BrFNO2/c1-13-5-4-6-14(2)20(13)24-15(3)11-18(19(22)21(24)25)26-12-16-7-9-17(23)10-8-16/h4-11H,12H2,1-3H3
InChIKeyKBFGSUTZQQUJCZ-UHFFFAOYSA-N
XLogP5.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 10127604
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2(1H)-one
CID 10151273
1-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(hydroxymethyl)pyridin-2(1H)-one
CID 22049899
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050143
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050346
[3-[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
CID 22050354
1-[4-(Aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050423
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[4-(dimethylamino)-2,6-difluorophenyl]-6-methylpyridin-2-one
CID 22050450
3-Bromo-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050521
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one (CID 10150990) is 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2)c(Br)c1=O.
What is the InChIKey of 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is KBFGSUTZQQUJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFNO2/c1-13-5-4-6-14(2)20(13)24-15(3)11-18(19(22)21(24)25)26-12-16-7-9-17(23)10-8-16/h4-11H,12H2,1-3H3.
What are the key properties of 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 416.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,6-dimethylphenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 10150990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).