2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole

C11H6Cl5NO — CID 44518698

IUPAC2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H6Cl5NO/c1-18-10-5(2-4(12)3-6(10)13)9-7(14)8(15)11(16)17-9/h2-3,17H,1H3
InChIKeyVKLLEZBBYHOARY-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.96
Rot. Bonds2

About 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole

2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole (PubChem CID 44518698) has the molecular formula C11H6Cl5NO and a molecular weight of 345.44 g/mol. Its IUPAC name is 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
PubChem CID44518698
Molecular FormulaC11H6Cl5NO
Molecular Weight345.44 g/mol
Exact Mass342.89
IUPAC Name2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H6Cl5NO/c1-18-10-5(2-4(12)3-6(10)13)9-7(14)8(15)11(16)17-9/h2-3,17H,1H3
InChIKeyVKLLEZBBYHOARY-UHFFFAOYSA-N
XLogP5.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole (CID 44518698) is 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole is COc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The InChIKey is VKLLEZBBYHOARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl5NO/c1-18-10-5(2-4(12)3-6(10)13)9-7(14)8(15)11(16)17-9/h2-3,17H,1H3.
What are the key properties of 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole has a molecular weight of 345.44 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 44518698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).