1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one

C18H8BrCl2F2NO2 — CID 69226109

IUPAC1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2c(Cl)cc(Br)cc2Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C18H8BrCl2F2NO2/c19-10-5-13(20)17(14(21)6-10)24-8-9(1-4-16(24)25)18(26)12-3-2-11(22)7-15(12)23/h1-8H
InChIKeyNSUPCDSSTUKNFQ-UHFFFAOYSA-N
MW459.07 g/mol
LogP5.42
Rot. Bonds3

About 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one

1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one (PubChem CID 69226109) has the molecular formula C18H8BrCl2F2NO2 and a molecular weight of 459.07 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one
PubChem CID69226109
Molecular FormulaC18H8BrCl2F2NO2
Molecular Weight459.07 g/mol
Exact Mass456.91
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2c(Cl)cc(Br)cc2Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C18H8BrCl2F2NO2/c19-10-5-13(20)17(14(21)6-10)24-8-9(1-4-16(24)25)18(26)12-3-2-11(22)7-15(12)23/h1-8H
InChIKeyNSUPCDSSTUKNFQ-UHFFFAOYSA-N
XLogP5.42
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.07
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one (CID 69226109) is 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one is O=C(c1ccc(=O)n(-c2c(Cl)cc(Br)cc2Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one?
The InChIKey is NSUPCDSSTUKNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8BrCl2F2NO2/c19-10-5-13(20)17(14(21)6-10)24-8-9(1-4-16(24)25)18(26)12-3-2-11(22)7-15(12)23/h1-8H.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one?
1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one has a molecular weight of 459.07 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)-5-(2,4-difluorobenzoyl)pyridin-2-one is sourced from PubChem (CID 69226109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).