3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione

C10H4Cl3NO3 — CID 139805892

IUPAC3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H4Cl3NO3/c11-5-3-4(1-2-6(5)15)14-9(16)7(12)8(13)10(14)17/h1-3,15H
InChIKeyCGHVRUMIPOHENT-UHFFFAOYSA-N
MW292.51 g/mol
LogP2.61
Rot. Bonds1

About 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione

3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione (PubChem CID 139805892) has the molecular formula C10H4Cl3NO3 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione
PubChem CID139805892
Molecular FormulaC10H4Cl3NO3
Molecular Weight292.51 g/mol
Exact Mass290.93
IUPAC Name3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H4Cl3NO3/c11-5-3-4(1-2-6(5)15)14-9(16)7(12)8(13)10(14)17/h1-3,15H
InChIKeyCGHVRUMIPOHENT-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 725181
(1R,2R,6S,7S)-4-(3-chloro-4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 68546488
1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione
CID 64787339
1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione
CID 2781117
3-chloro-1-(3,4-dichlorophenyl)-4-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 52941814
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 691521
3-chloro-1-(3,4-dichlorophenyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 16654676
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
2-chloro-4-(4-phenylpiperazin-1-yl)phenol
CID 174508303
1-(3-chloro-4-hydroxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 67259136

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione (CID 139805892) is 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(O)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione?
The InChIKey is CGHVRUMIPOHENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3NO3/c11-5-3-4(1-2-6(5)15)14-9(16)7(12)8(13)10(14)17/h1-3,15H.
What are the key properties of 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione?
3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione has a molecular weight of 292.51 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(3-chloro-4-hydroxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 139805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).