1-(2,4-dichlorophenyl)pyrrole

C10H7Cl2N — CID 4763731

IUPAC1-(2,4-dichlorophenyl)pyrrole
SMILESClc1ccc(-n2cccc2)c(Cl)c1
InChIInChI=1S/C10H7Cl2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H
InChIKeyOEDDJPYZWSNWGW-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.78
Rot. Bonds1

About 1-(2,4-dichlorophenyl)pyrrole

1-(2,4-dichlorophenyl)pyrrole (PubChem CID 4763731) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)pyrrole
PubChem CID4763731
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name1-(2,4-dichlorophenyl)pyrrole
SMILESClc1ccc(-n2cccc2)c(Cl)c1
InChIInChI=1S/C10H7Cl2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H
InChIKeyOEDDJPYZWSNWGW-UHFFFAOYSA-N
XLogP3.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)pyrrole?
The IUPAC name of 1-(2,4-dichlorophenyl)pyrrole (CID 4763731) is 1-(2,4-dichlorophenyl)pyrrole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)pyrrole?
The canonical SMILES for 1-(2,4-dichlorophenyl)pyrrole is Clc1ccc(-n2cccc2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)pyrrole?
The InChIKey is OEDDJPYZWSNWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H.
What are the key properties of 1-(2,4-dichlorophenyl)pyrrole?
1-(2,4-dichlorophenyl)pyrrole has a molecular weight of 212.08 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)pyrrole is sourced from PubChem (CID 4763731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).