3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one

C19H14BrCl2NO2 — CID 44531361

IUPAC3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(=O)c1Br
InChIInChI=1S/C19H14BrCl2NO2/c1-10-17(19(24)18(20)11(2)23-10)12-3-6-14(7-4-12)25-16-8-5-13(21)9-15(16)22/h3-9H,1-2H3,(H,23,24)
InChIKeyUMRCCBTZTCLDST-UHFFFAOYSA-N
MW439.14 g/mol
LogP6.52
Rot. Bonds3

About 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one

3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44531361) has the molecular formula C19H14BrCl2NO2 and a molecular weight of 439.14 g/mol. Its IUPAC name is 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44531361
Molecular FormulaC19H14BrCl2NO2
Molecular Weight439.14 g/mol
Exact Mass436.96
IUPAC Name3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(=O)c1Br
InChIInChI=1S/C19H14BrCl2NO2/c1-10-17(19(24)18(20)11(2)23-10)12-3-6-14(7-4-12)25-16-8-5-13(21)9-15(16)22/h3-9H,1-2H3,(H,23,24)
InChIKeyUMRCCBTZTCLDST-UHFFFAOYSA-N
XLogP6.52
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.14
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[4-(3-chlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 24858634
3-chloro-5-[4-(3,5-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44531206
4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586114
3-[4-(4-chlorophenoxy)-3-hydroxyphenyl]-2-methyl-1H-quinolin-4-one
CID 155091119
5-[4-(2,4-dichlorophenoxy)phenyl]-3-methylsulfanyl-1H-pyrazole
CID 23855240
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127035449
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
2-[4-(2,4-dichlorophenoxy)phenyl]furan
CID 168526554
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44531361) is 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(=O)c1Br.
What is the InChIKey of 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is UMRCCBTZTCLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2NO2/c1-10-17(19(24)18(20)11(2)23-10)12-3-6-14(7-4-12)25-16-8-5-13(21)9-15(16)22/h3-9H,1-2H3,(H,23,24).
What are the key properties of 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one?
3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 439.14 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[4-(2,4-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44531361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).