5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde

C12H9BrOS — CID 43363606

IUPAC5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1cc(-c2ccc(C=O)s2)ccc1Br
InChIInChI=1S/C12H9BrOS/c1-8-6-9(2-4-11(8)13)12-5-3-10(7-14)15-12/h2-7H,1H3
InChIKeyVKLXDWHZWYKFJC-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.30
Rot. Bonds2

About 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde

5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde (PubChem CID 43363606) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
PubChem CID43363606
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1cc(-c2ccc(C=O)s2)ccc1Br
InChIInChI=1S/C12H9BrOS/c1-8-6-9(2-4-11(8)13)12-5-3-10(7-14)15-12/h2-7H,1H3
InChIKeyVKLXDWHZWYKFJC-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.30
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-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde (CID 43363606) is 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde is Cc1cc(-c2ccc(C=O)s2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde?
The InChIKey is VKLXDWHZWYKFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c1-8-6-9(2-4-11(8)13)12-5-3-10(7-14)15-12/h2-7H,1H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde?
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde has a molecular weight of 281.17 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 43363606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).