4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate

C24H10Cl2N4O4S2-2 — CID 102045811

IUPAC4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate
SMILESN#Cc1c([O-])[nH]c(=O)c(SSc2c(-c3ccc(Cl)cc3)c(C#N)c([O-])[nH]c2=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H12Cl2N4O4S2/c25-13-5-1-11(2-6-13)17-15(9-27)21(31)29-23(33)19(17)35-36-20-18(12-3-7-14(26)8-4-12)16(10-28)22(32)30-24(20)34/h1-8H,(H2,29,31,33)(H2,30,32,34)/p-2
InChIKeyUEPBIMZZNKZPJN-UHFFFAOYSA-L
MW553.41 g/mol
LogP4.39
Rot. Bonds5

About 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate

4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate (PubChem CID 102045811) has the molecular formula C24H10Cl2N4O4S2-2 and a molecular weight of 553.41 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate
PubChem CID102045811
Molecular FormulaC24H10Cl2N4O4S2-2
Molecular Weight553.41 g/mol
Exact Mass551.95
IUPAC Name4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate
SMILESN#Cc1c([O-])[nH]c(=O)c(SSc2c(-c3ccc(Cl)cc3)c(C#N)c([O-])[nH]c2=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H12Cl2N4O4S2/c25-13-5-1-11(2-6-13)17-15(9-27)21(31)29-23(33)19(17)35-36-20-18(12-3-7-14(26)8-4-12)16(10-28)22(32)30-24(20)34/h1-8H,(H2,29,31,33)(H2,30,32,34)/p-2
InChIKeyUEPBIMZZNKZPJN-UHFFFAOYSA-L
XLogP4.39
TPSA159.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate with MolForge

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Related Compounds

2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010180
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
4-tert-butyl-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile;ethane
CID 142311064
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 13005069
6-(4-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1477185
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
4-(4-chlorophenyl)-2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135667133
6-methyl-4-(4-nitrophenyl)-2-oxo-5-phenylsulfanyl-1H-pyridine-3-carbonitrile
CID 15359746
4-(4-chlorophenyl)-2-[2-(dimethylamino)ethylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135667194
4-(4-chlorophenyl)-2-oxo-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile;4-methylmorpholine
CID 57149795
4-(4-chlorophenyl)-5-(hydroxymethyl)-6-oxo-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile
CID 176980526

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate?
The IUPAC name of 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate (CID 102045811) is 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate?
The canonical SMILES for 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate is N#Cc1c([O-])[nH]c(=O)c(SSc2c(-c3ccc(Cl)cc3)c(C#N)c([O-])[nH]c2=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate?
The InChIKey is UEPBIMZZNKZPJN-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H12Cl2N4O4S2/c25-13-5-1-11(2-6-13)17-15(9-27)21(31)29-23(33)19(17)35-36-20-18(12-3-7-14(26)8-4-12)16(10-28)22(32)30-24(20)34/h1-8H,(H2,29,31,33)(H2,30,32,34)/p-2.
What are the key properties of 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate?
4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate has a molecular weight of 553.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)-5-cyano-6-oxido-2-oxo-1H-pyridin-3-yl]disulfanyl]-3-cyano-6-oxo-1H-pyridin-2-olate is sourced from PubChem (CID 102045811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).