1-(2,3,5,6-tetrachlorophenyl)pyrrole

C10H5Cl4N — CID 2803775

IUPAC1-(2,3,5,6-tetrachlorophenyl)pyrrole
SMILESClc1cc(Cl)c(Cl)c(-n2cccc2)c1Cl
InChIInChI=1S/C10H5Cl4N/c11-6-5-7(12)9(14)10(8(6)13)15-3-1-2-4-15/h1-5H
InChIKeyTZDGDKGBXZCKAF-UHFFFAOYSA-N
MW280.97 g/mol
LogP5.09
Rot. Bonds1

About 1-(2,3,5,6-tetrachlorophenyl)pyrrole

1-(2,3,5,6-tetrachlorophenyl)pyrrole (PubChem CID 2803775) has the molecular formula C10H5Cl4N and a molecular weight of 280.97 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrachlorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2,3,5,6-tetrachlorophenyl)pyrrole
PubChem CID2803775
Molecular FormulaC10H5Cl4N
Molecular Weight280.97 g/mol
Exact Mass278.92
IUPAC Name1-(2,3,5,6-tetrachlorophenyl)pyrrole
SMILESClc1cc(Cl)c(Cl)c(-n2cccc2)c1Cl
InChIInChI=1S/C10H5Cl4N/c11-6-5-7(12)9(14)10(8(6)13)15-3-1-2-4-15/h1-5H
InChIKeyTZDGDKGBXZCKAF-UHFFFAOYSA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.97
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrachlorophenyl)pyrrole?
The IUPAC name of 1-(2,3,5,6-tetrachlorophenyl)pyrrole (CID 2803775) is 1-(2,3,5,6-tetrachlorophenyl)pyrrole.
What is the SMILES notation for 1-(2,3,5,6-tetrachlorophenyl)pyrrole?
The canonical SMILES for 1-(2,3,5,6-tetrachlorophenyl)pyrrole is Clc1cc(Cl)c(Cl)c(-n2cccc2)c1Cl.
What is the InChIKey of 1-(2,3,5,6-tetrachlorophenyl)pyrrole?
The InChIKey is TZDGDKGBXZCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4N/c11-6-5-7(12)9(14)10(8(6)13)15-3-1-2-4-15/h1-5H.
What are the key properties of 1-(2,3,5,6-tetrachlorophenyl)pyrrole?
1-(2,3,5,6-tetrachlorophenyl)pyrrole has a molecular weight of 280.97 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrachlorophenyl)pyrrole is sourced from PubChem (CID 2803775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).