3-(4-bromophenyl)-1H-pyrrole

C10H8BrN — CID 11557611

IUPAC3-(4-bromophenyl)-1H-pyrrole
SMILESBrc1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C10H8BrN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,12H
InChIKeyJYWRYTQJPDTAIJ-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.44
Rot. Bonds1

About 3-(4-bromophenyl)-1H-pyrrole

3-(4-bromophenyl)-1H-pyrrole (PubChem CID 11557611) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(4-bromophenyl)-1H-pyrrole
PubChem CID11557611
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name3-(4-bromophenyl)-1H-pyrrole
SMILESBrc1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C10H8BrN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,12H
InChIKeyJYWRYTQJPDTAIJ-UHFFFAOYSA-N
XLogP3.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1H-pyrrole?
The IUPAC name of 3-(4-bromophenyl)-1H-pyrrole (CID 11557611) is 3-(4-bromophenyl)-1H-pyrrole.
What is the SMILES notation for 3-(4-bromophenyl)-1H-pyrrole?
The canonical SMILES for 3-(4-bromophenyl)-1H-pyrrole is Brc1ccc(-c2cc[nH]c2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1H-pyrrole?
The InChIKey is JYWRYTQJPDTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,12H.
What are the key properties of 3-(4-bromophenyl)-1H-pyrrole?
3-(4-bromophenyl)-1H-pyrrole has a molecular weight of 222.09 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1H-pyrrole is sourced from PubChem (CID 11557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).