4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde

C13H11Br2NO — CID 4763749

IUPAC4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1c(Br)c(C=O)c(C)n1-c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NO/c1-8-12(7-17)13(15)9(2)16(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3
InChIKeyLEJVCSMNBXJSBO-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.43
Rot. Bonds2

About 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde

4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 4763749) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID4763749
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1c(Br)c(C=O)c(C)n1-c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NO/c1-8-12(7-17)13(15)9(2)16(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3
InChIKeyLEJVCSMNBXJSBO-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 4763749) is 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde is Cc1c(Br)c(C=O)c(C)n1-c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is LEJVCSMNBXJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c1-8-12(7-17)13(15)9(2)16(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3.
What are the key properties of 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 357.05 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 4763749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).