3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one

C19H14BrCl2NO2 — CID 10151356

IUPAC3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1cc(OCc2ccccc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H14BrCl2NO2/c1-12-10-16(25-11-13-6-3-2-4-7-13)17(20)19(24)23(12)18-14(21)8-5-9-15(18)22/h2-10H,11H2,1H3
InChIKeyLJRWEWAERUZBPM-UHFFFAOYSA-N
MW439.14 g/mol
LogP5.79
Rot. Bonds4

About 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one

3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one (PubChem CID 10151356) has the molecular formula C19H14BrCl2NO2 and a molecular weight of 439.14 g/mol. Its IUPAC name is 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one
PubChem CID10151356
Molecular FormulaC19H14BrCl2NO2
Molecular Weight439.14 g/mol
Exact Mass436.96
IUPAC Name3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1cc(OCc2ccccc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H14BrCl2NO2/c1-12-10-16(25-11-13-6-3-2-4-7-13)17(20)19(24)23(12)18-14(21)8-5-9-15(18)22/h2-10H,11H2,1H3
InChIKeyLJRWEWAERUZBPM-UHFFFAOYSA-N
XLogP5.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.14
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-1-(2,6-dichlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 10195536
3-Bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 10127604
4-bromo-2-(2,6-dichlorophenyl)-5-(2,4-difluorobenzyloxy)pyridazin-3(2H)-one
CID 10195333
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050143
4-bromo-2-(2,6-dichlorophenyl)-5-(2,4,6-trifluorobenzyloxy)pyridazin-3(2H)-one
CID 46887135
4-bromo-2-(2,6-dichlorophenyl)-5-(2,3,4-trifluorobenzyloxy)pyridazin-3(2H)-one
CID 46887136
4-bromo-2-(2,6-dichlorophenyl)-5-(4-fluorobenzyloxy)pyridazin-3(2H)-one
CID 9824695
4-bromo-2-(2,6-dichlorophenyl)-5-(3,4-difluorobenzyloxy)pyridazin-3(2H)-one
CID 10288541
5-(benzyloxy)-4-bromo-2-(2,6-dichlorophenyl)pyridazin-3(2H)-one
CID 46887097
4-bromo-5-(4-chloro-2-fluorobenzyloxy)-2-(2,6-dichlorophenyl)pyridazin-3(2H)-one
CID 46887184
5-Bromo-3-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089559
5-Bromo-3-(2,6-dichlorophenyl)-6-[(2,6-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089561

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one (CID 10151356) is 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one is Cc1cc(OCc2ccccc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one?
The InChIKey is LJRWEWAERUZBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2NO2/c1-12-10-16(25-11-13-6-3-2-4-7-13)17(20)19(24)23(12)18-14(21)8-5-9-15(18)22/h2-10H,11H2,1H3.
What are the key properties of 3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one?
3-bromo-1-(2,6-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one has a molecular weight of 439.14 g/mol, XLogP of 5.79, 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-dichlorophenyl)-6-methyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10151356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).