1-(2,4-dichloro-5-methoxyphenyl)pyrrole

C11H9Cl2NO — CID 3520882

IUPAC1-(2,4-dichloro-5-methoxyphenyl)pyrrole
SMILESCOc1cc(-n2cccc2)c(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NO/c1-15-11-7-10(8(12)6-9(11)13)14-4-2-3-5-14/h2-7H,1H3
InChIKeyPYZLFZWHCHKJCV-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.79
Rot. Bonds2

About 1-(2,4-dichloro-5-methoxyphenyl)pyrrole

1-(2,4-dichloro-5-methoxyphenyl)pyrrole (PubChem CID 3520882) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)pyrrole
PubChem CID3520882
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)pyrrole
SMILESCOc1cc(-n2cccc2)c(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NO/c1-15-11-7-10(8(12)6-9(11)13)14-4-2-3-5-14/h2-7H,1H3
InChIKeyPYZLFZWHCHKJCV-UHFFFAOYSA-N
XLogP3.79
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)pyrrole?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)pyrrole (CID 3520882) is 1-(2,4-dichloro-5-methoxyphenyl)pyrrole.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)pyrrole?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)pyrrole is COc1cc(-n2cccc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)pyrrole?
The InChIKey is PYZLFZWHCHKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-15-11-7-10(8(12)6-9(11)13)14-4-2-3-5-14/h2-7H,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)pyrrole?
1-(2,4-dichloro-5-methoxyphenyl)pyrrole has a molecular weight of 242.11 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)pyrrole is sourced from PubChem (CID 3520882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).