dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate

C14H11Cl2NO4 — CID 12832892

IUPACdimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2Cl)c(C(=O)OC)[nH]1
InChIInChI=1S/C14H11Cl2NO4/c1-20-13(18)10-6-8(12(17-10)14(19)21-2)7-4-3-5-9(15)11(7)16/h3-6,17H,1-2H3
InChIKeyVMKXQTKEDFQBSU-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.56
Rot. Bonds3

About dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate

dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate (PubChem CID 12832892) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
PubChem CID12832892
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Namedimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2Cl)c(C(=O)OC)[nH]1
InChIInChI=1S/C14H11Cl2NO4/c1-20-13(18)10-6-8(12(17-10)14(19)21-2)7-4-3-5-9(15)11(7)16/h3-6,17H,1-2H3
InChIKeyVMKXQTKEDFQBSU-UHFFFAOYSA-N
XLogP3.56
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate 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

methyl 3-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092961
3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylic acid
CID 70546030
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 39733827
methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate
CID 920393
methyl 6-oxo-3-(2,3,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092682
methyl 4,5-dioxo-1H-benzo[g]indole-2-carboxylate
CID 14969611
methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 13290682
methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
CID 135358278
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate (CID 12832892) is dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate is COC(=O)c1cc(-c2cccc(Cl)c2Cl)c(C(=O)OC)[nH]1.
What is the InChIKey of dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate?
The InChIKey is VMKXQTKEDFQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c1-20-13(18)10-6-8(12(17-10)14(19)21-2)7-4-3-5-9(15)11(7)16/h3-6,17H,1-2H3.
What are the key properties of dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate?
dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate has a molecular weight of 328.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate is sourced from PubChem (CID 12832892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).