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

C10H4Cl2N2O4 — CID 7109767

IUPAC3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H4Cl2N2O4/c11-7-8(12)10(16)13(9(7)15)5-1-3-6(4-2-5)14(17)18/h1-4H
InChIKeySPLZVLAXCUUTFU-UHFFFAOYSA-N
MW287.06 g/mol
LogP2.16
Rot. Bonds2

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

3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 7109767) has the molecular formula C10H4Cl2N2O4 and a molecular weight of 287.06 g/mol. Its IUPAC name is 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
PubChem CID7109767
Molecular FormulaC10H4Cl2N2O4
Molecular Weight287.06 g/mol
Exact Mass285.95
IUPAC Name3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H4Cl2N2O4/c11-7-8(12)10(16)13(9(7)15)5-1-3-6(4-2-5)14(17)18/h1-4H
InChIKeySPLZVLAXCUUTFU-UHFFFAOYSA-N
XLogP2.16
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-chloro-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580735
3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 101041424
3-chloro-4-(3-methylanilino)-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 101041433
3-chloro-1-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580715
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 16654753
2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 3109986
1,7,8,9,10,10-hexachloro-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 4038457
(4R)-4-acetyl-1-(4-nitrophenyl)pyrrolidine-2,3,5-trione
CID 98392481
5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione
CID 163725711
5-methoxy-2-(4-nitrophenyl)isoindole-1,3-dione
CID 68976074
1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
CID 101057085
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione (CID 7109767) is 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is SPLZVLAXCUUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N2O4/c11-7-8(12)10(16)13(9(7)15)5-1-3-6(4-2-5)14(17)18/h1-4H.
What are the key properties of 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 287.06 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 7109767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).