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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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).