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

C11H6Br3Cl2NO — CID 14431154

IUPAC2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Cl)cc(Cl)cc1-c1[nH]c(Br)c(Br)c1Br
InChIInChI=1S/C11H6Br3Cl2NO/c1-18-10-5(2-4(15)3-6(10)16)9-7(12)8(13)11(14)17-9/h2-3,17H,1H3
InChIKeyYBGXWOMQZZTNON-UHFFFAOYSA-N
MW478.79 g/mol
LogP6.28
Rot. Bonds2

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

2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole (PubChem CID 14431154) has the molecular formula C11H6Br3Cl2NO and a molecular weight of 478.79 g/mol. Its IUPAC name is 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
PubChem CID14431154
Molecular FormulaC11H6Br3Cl2NO
Molecular Weight478.79 g/mol
Exact Mass474.74
IUPAC Name2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Cl)cc(Cl)cc1-c1[nH]c(Br)c(Br)c1Br
InChIInChI=1S/C11H6Br3Cl2NO/c1-18-10-5(2-4(15)3-6(10)16)9-7(12)8(13)11(14)17-9/h2-3,17H,1H3
InChIKeyYBGXWOMQZZTNON-UHFFFAOYSA-N
XLogP6.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole (CID 14431154) is 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole is COc1c(Cl)cc(Cl)cc1-c1[nH]c(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The InChIKey is YBGXWOMQZZTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3Cl2NO/c1-18-10-5(2-4(15)3-6(10)16)9-7(12)8(13)11(14)17-9/h2-3,17H,1H3.
What are the key properties of 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole has a molecular weight of 478.79 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 14431154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).