2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde

C9H5BrO3 — CID 83899043

IUPAC2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde
SMILESO=Cc1cc2oc(Br)cc2cc1O
InChIInChI=1S/C9H5BrO3/c10-9-3-5-1-7(12)6(4-11)2-8(5)13-9/h1-4,12H
InChIKeyFYSLKOCQTHKKHF-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.71
Rot. Bonds1

About 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde

2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde (PubChem CID 83899043) has the molecular formula C9H5BrO3 and a molecular weight of 241.04 g/mol. Its IUPAC name is 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde
PubChem CID83899043
Molecular FormulaC9H5BrO3
Molecular Weight241.04 g/mol
Exact Mass239.94
IUPAC Name2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde
SMILESO=Cc1cc2oc(Br)cc2cc1O
InChIInChI=1S/C9H5BrO3/c10-9-3-5-1-7(12)6(4-11)2-8(5)13-9/h1-4,12H
InChIKeyFYSLKOCQTHKKHF-UHFFFAOYSA-N
XLogP2.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde
CID 83900980
2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
CID 83919931
ethyl 5-formyl-6-hydroxy-1-benzofuran-2-carboxylate
CID 10823563
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
2-bromo-5,6-dimethoxy-1-benzofuran
CID 142737162
4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
CID 177311411
1-(2-bromo-1-benzofuran-6-yl)ethanone
CID 83898344
5-bromo-2-ethylfuran-3-carbaldehyde
CID 82396999
2,3-dibromo-4,5-dihydroxybenzaldehyde
CID 11346984
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
methyl 5-bromo-3-formylfuran-2-carboxylate
CID 84696274
methyl 2-bromo-4-formyl-5-hydroxybenzoate
CID 90036125

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde?
The IUPAC name of 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde (CID 83899043) is 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde is O=Cc1cc2oc(Br)cc2cc1O.
What is the InChIKey of 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde?
The InChIKey is FYSLKOCQTHKKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO3/c10-9-3-5-1-7(12)6(4-11)2-8(5)13-9/h1-4,12H.
What are the key properties of 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde?
2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde has a molecular weight of 241.04 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hydroxy-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 83899043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).