5-bromo-1-benzofuran-2-carbaldehyde

C9H5BrO2 — CID 2795535

IUPAC5-bromo-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKeyUPEGFMDITWHVHV-UHFFFAOYSA-N
MW225.04 g/mol
LogP3.01
Rot. Bonds1

About 5-bromo-1-benzofuran-2-carbaldehyde

5-bromo-1-benzofuran-2-carbaldehyde (PubChem CID 2795535) has the molecular formula C9H5BrO2 and a molecular weight of 225.04 g/mol. Its IUPAC name is 5-bromo-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1-benzofuran-2-carbaldehyde
PubChem CID2795535
Molecular FormulaC9H5BrO2
Molecular Weight225.04 g/mol
Exact Mass223.95
IUPAC Name5-bromo-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKeyUPEGFMDITWHVHV-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 53.01
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 5-bromo-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5-bromo-1-benzofuran-2-carbaldehyde (CID 2795535) is 5-bromo-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5-bromo-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5-bromo-1-benzofuran-2-carbaldehyde is O=Cc1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-1-benzofuran-2-carbaldehyde?
The InChIKey is UPEGFMDITWHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H.
What are the key properties of 5-bromo-1-benzofuran-2-carbaldehyde?
5-bromo-1-benzofuran-2-carbaldehyde has a molecular weight of 225.04 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 2795535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).