3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one

C13H12BrNO2S — CID 135033848

IUPAC3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(Br)cc2)c(=O)n1C
InChIInChI=1S/C13H12BrNO2S/c1-8-7-11(16)12(13(17)15(8)2)18-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3
InChIKeyJDUAFYPRUSEYHY-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.31
Rot. Bonds2

About 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one

3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 135033848) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID135033848
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(Br)cc2)c(=O)n1C
InChIInChI=1S/C13H12BrNO2S/c1-8-7-11(16)12(13(17)15(8)2)18-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3
InChIKeyJDUAFYPRUSEYHY-UHFFFAOYSA-N
XLogP3.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one
CID 135033815
2-(4-bromophenyl)sulfanyl-3-methylphenol
CID 102267344
2-[5-(4-bromophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 91877621
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one
CID 24895941
1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
CID 58715679
3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54704975
4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one
CID 54708954
2-(4-bromophenyl)sulfanylphenol
CID 102267343
methyl 5-(4-bromophenyl)sulfanyl-6-hydroxy-2-oxochromene-3-carboxylate
CID 132505557
7-hydroxy-6,8-bis[(4-methylphenyl)sulfanyl]chromen-2-one
CID 102503603
6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-3-phenylsulfanylpyridin-2-one
CID 54715988

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one (CID 135033848) is 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(Sc2ccc(Br)cc2)c(=O)n1C.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is JDUAFYPRUSEYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-8-7-11(16)12(13(17)15(8)2)18-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3.
What are the key properties of 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 326.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 135033848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).