5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde

C11H8BrNO — CID 82382889

IUPAC5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C11H8BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-14)13-11/h1-7,13H
InChIKeyOGDNRESKMRSZBV-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.26
Rot. Bonds2

About 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde

5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 82382889) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID82382889
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C11H8BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-14)13-11/h1-7,13H
InChIKeyOGDNRESKMRSZBV-UHFFFAOYSA-N
XLogP3.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde (CID 82382889) is 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is OGDNRESKMRSZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-14)13-11/h1-7,13H.
What are the key properties of 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde?
5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 250.10 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 82382889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).