1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione

C10H5ClN2O4 — CID 4120945

IUPAC1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H5ClN2O4/c11-7-5-6(13(16)17)1-2-8(7)12-9(14)3-4-10(12)15/h1-5H
InChIKeyVCXMJLPFTMVFNS-UHFFFAOYSA-N
MW252.61 g/mol
LogP1.68
Rot. Bonds2

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

1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 4120945) has the molecular formula C10H5ClN2O4 and a molecular weight of 252.61 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
PubChem CID4120945
Molecular FormulaC10H5ClN2O4
Molecular Weight252.61 g/mol
Exact Mass251.99
IUPAC Name1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H5ClN2O4/c11-7-5-6(13(16)17)1-2-8(7)12-9(14)3-4-10(12)15/h1-5H
InChIKeyVCXMJLPFTMVFNS-UHFFFAOYSA-N
XLogP1.68
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.61
LogP ≤ 51.68
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-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-(5-nitro-1H-indol-3-yl)pyrrole-2,5-dione
CID 70365665
1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 170594221
3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one
CID 59536598
2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
1-[4-(2,5-dioxopyrrol-1-yl)-3-nitrophenyl]pyrrole-2,5-dione
CID 70397403
2-(2,4-dichlorophenyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione
CID 4648631
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 91653245
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 2887588
1-(2-chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
CID 2855626
1-(2-chloro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 134610331

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione (CID 4120945) is 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is VCXMJLPFTMVFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4/c11-7-5-6(13(16)17)1-2-8(7)12-9(14)3-4-10(12)15/h1-5H.
What are the key properties of 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione?
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 252.61 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 4120945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).