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

C11H7Br4NO — CID 10972991

IUPAC3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Br)cc(Br)cc1-c1[nH]cc(Br)c1Br
InChIInChI=1S/C11H7Br4NO/c1-17-11-6(2-5(12)3-7(11)13)10-9(15)8(14)4-16-10/h2-4,16H,1H3
InChIKeyLOCZVIMIWQWXEZ-UHFFFAOYSA-N
MW488.80 g/mol
LogP5.74
Rot. Bonds2

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

3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole (PubChem CID 10972991) has the molecular formula C11H7Br4NO and a molecular weight of 488.80 g/mol. Its IUPAC name is 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole
PubChem CID10972991
Molecular FormulaC11H7Br4NO
Molecular Weight488.80 g/mol
Exact Mass484.73
IUPAC Name3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Br)cc(Br)cc1-c1[nH]cc(Br)c1Br
InChIInChI=1S/C11H7Br4NO/c1-17-11-6(2-5(12)3-7(11)13)10-9(15)8(14)4-16-10/h2-4,16H,1H3
InChIKeyLOCZVIMIWQWXEZ-UHFFFAOYSA-N
XLogP5.74
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole (CID 10972991) is 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole is COc1c(Br)cc(Br)cc1-c1[nH]cc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole?
The InChIKey is LOCZVIMIWQWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br4NO/c1-17-11-6(2-5(12)3-7(11)13)10-9(15)8(14)4-16-10/h2-4,16H,1H3.
What are the key properties of 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole?
3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole has a molecular weight of 488.80 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 10972991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).