1-methylpyrrole-2,4-dicarbonyl chloride

C7H5Cl2NO2 — CID 58945296

IUPAC1-methylpyrrole-2,4-dicarbonyl chloride
SMILESCn1cc(C(=O)Cl)cc1C(=O)Cl
InChIInChI=1S/C7H5Cl2NO2/c1-10-3-4(6(8)11)2-5(10)7(9)12/h2-3H,1H3
InChIKeyGVGHQDHBYLBPFJ-UHFFFAOYSA-N
MW206.03 g/mol
LogP1.78
Rot. Bonds2

About 1-methylpyrrole-2,4-dicarbonyl chloride

1-methylpyrrole-2,4-dicarbonyl chloride (PubChem CID 58945296) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is 1-methylpyrrole-2,4-dicarbonyl chloride.

Molecular Properties

Compound Name1-methylpyrrole-2,4-dicarbonyl chloride
PubChem CID58945296
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name1-methylpyrrole-2,4-dicarbonyl chloride
SMILESCn1cc(C(=O)Cl)cc1C(=O)Cl
InChIInChI=1S/C7H5Cl2NO2/c1-10-3-4(6(8)11)2-5(10)7(9)12/h2-3H,1H3
InChIKeyGVGHQDHBYLBPFJ-UHFFFAOYSA-N
XLogP1.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2,4-dicarbonyl chloride?
The IUPAC name of 1-methylpyrrole-2,4-dicarbonyl chloride (CID 58945296) is 1-methylpyrrole-2,4-dicarbonyl chloride.
What is the SMILES notation for 1-methylpyrrole-2,4-dicarbonyl chloride?
The canonical SMILES for 1-methylpyrrole-2,4-dicarbonyl chloride is Cn1cc(C(=O)Cl)cc1C(=O)Cl.
What is the InChIKey of 1-methylpyrrole-2,4-dicarbonyl chloride?
The InChIKey is GVGHQDHBYLBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c1-10-3-4(6(8)11)2-5(10)7(9)12/h2-3H,1H3.
What are the key properties of 1-methylpyrrole-2,4-dicarbonyl chloride?
1-methylpyrrole-2,4-dicarbonyl chloride has a molecular weight of 206.03 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2,4-dicarbonyl chloride is sourced from PubChem (CID 58945296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).