1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione

C11H6F2N2O4 — CID 60975191

IUPAC1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cc([N+](=O)[O-])c(F)cc2F)C1=O
InChIInChI=1S/C11H6F2N2O4/c1-5-2-10(16)14(11(5)17)8-4-9(15(18)19)7(13)3-6(8)12/h2-4H,1H3
InChIKeyCPEHBSWKSVMZLB-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.69
Rot. Bonds2

About 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione

1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione (PubChem CID 60975191) has the molecular formula C11H6F2N2O4 and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione
PubChem CID60975191
Molecular FormulaC11H6F2N2O4
Molecular Weight268.18 g/mol
Exact Mass268.03
IUPAC Name1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cc([N+](=O)[O-])c(F)cc2F)C1=O
InChIInChI=1S/C11H6F2N2O4/c1-5-2-10(16)14(11(5)17)8-4-9(15(18)19)7(13)3-6(8)12/h2-4H,1H3
InChIKeyCPEHBSWKSVMZLB-UHFFFAOYSA-N
XLogP1.69
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.69
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'}

Analyze 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(2-methyl-4-nitrophenyl)pyrrole-2,5-dione
CID 54940825
3-methyl-1-(2,3,5-trifluorophenyl)pyrrole-2,5-dione
CID 62813016
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
5-(3-methyl-2,5-dioxopyrrol-1-yl)-2-nitrobenzoic acid
CID 57215929
1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
CID 107595185
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
3-bromo-1-(2-nitrophenyl)pyrrole-2,5-dione
CID 163361599
5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one
CID 142393403
1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
CID 68742064
2-(4-chloro-2-fluoro-5-nitrophenyl)isoindole-1,3-dione;2-(4-chloro-2-fluorophenyl)isoindole-1,3-dione
CID 158663504

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione (CID 60975191) is 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2cc([N+](=O)[O-])c(F)cc2F)C1=O.
What is the InChIKey of 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione?
The InChIKey is CPEHBSWKSVMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O4/c1-5-2-10(16)14(11(5)17)8-4-9(15(18)19)7(13)3-6(8)12/h2-4H,1H3.
What are the key properties of 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione?
1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione has a molecular weight of 268.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-nitrophenyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 60975191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).