3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C19H12BrF4NO3 — CID 22049990

IUPAC3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(O)cc1F
InChIInChI=1S/C19H12BrF4NO3/c1-9-4-16(28-8-10-2-3-11(21)5-13(10)22)17(20)19(27)25(9)18-14(23)6-12(26)7-15(18)24/h2-7,26H,8H2,1H3
InChIKeyJOJCHTMOYUBWMZ-UHFFFAOYSA-N
MW458.21 g/mol
LogP4.75
Rot. Bonds4

About 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 22049990) has the molecular formula C19H12BrF4NO3 and a molecular weight of 458.21 g/mol. Its IUPAC name is 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID22049990
Molecular FormulaC19H12BrF4NO3
Molecular Weight458.21 g/mol
Exact Mass456.99
IUPAC Name3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(O)cc1F
InChIInChI=1S/C19H12BrF4NO3/c1-9-4-16(28-8-10-2-3-11(21)5-13(10)22)17(20)19(27)25(9)18-14(23)6-12(26)7-15(18)24/h2-7,26H,8H2,1H3
InChIKeyJOJCHTMOYUBWMZ-UHFFFAOYSA-N
XLogP4.75
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.21
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one with MolForge

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Related Compounds

3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-dimethylphenyl)-6-methylpyridin-2(1H)-one
CID 10151273
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(hydroxymethyl)pyridin-2(1H)-one
CID 22049899
2-[4-[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-3,5-difluorophenoxy]acetamide
CID 22050030
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-Bromo-1-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050381
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[4-(dimethylamino)-2,6-difluorophenyl]-6-methylpyridin-2-one
CID 22050450
5-(4-Fluorophenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 117879905
1-p-Methoxyphenyl-4-hydroxy-2-quinolone
CID 54738136
3-Bromo-1-(2,6-difluorophenyl)-4-[(4-fluoro-2-isocyanophenyl)methoxy]-6-methylpyridin-2-one
CID 21035313
3-(2,6-Difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21090037
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-(2,4,6-trifluorophenyl)pyridin-2-one
CID 22049894

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 22049990) is 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(O)cc1F.
What is the InChIKey of 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is JOJCHTMOYUBWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF4NO3/c1-9-4-16(28-8-10-2-3-11(21)5-13(10)22)17(20)19(27)25(9)18-14(23)6-12(26)7-15(18)24/h2-7,26H,8H2,1H3.
What are the key properties of 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 458.21 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,6-difluoro-4-hydroxyphenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 22049990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).