2-bromo-5-phenylthiophene-3-carbaldehyde

C11H7BrOS — CID 14113891

IUPAC2-bromo-5-phenylthiophene-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)sc1Br
InChIInChI=1S/C11H7BrOS/c12-11-9(7-13)6-10(14-11)8-4-2-1-3-5-8/h1-7H
InChIKeyPNNQXYOKWBKBCA-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.99
Rot. Bonds2

About 2-bromo-5-phenylthiophene-3-carbaldehyde

2-bromo-5-phenylthiophene-3-carbaldehyde (PubChem CID 14113891) has the molecular formula C11H7BrOS and a molecular weight of 267.15 g/mol. Its IUPAC name is 2-bromo-5-phenylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-phenylthiophene-3-carbaldehyde
PubChem CID14113891
Molecular FormulaC11H7BrOS
Molecular Weight267.15 g/mol
Exact Mass265.94
IUPAC Name2-bromo-5-phenylthiophene-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)sc1Br
InChIInChI=1S/C11H7BrOS/c12-11-9(7-13)6-10(14-11)8-4-2-1-3-5-8/h1-7H
InChIKeyPNNQXYOKWBKBCA-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.99
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 2-bromo-5-phenylthiophene-3-carbaldehyde?
The IUPAC name of 2-bromo-5-phenylthiophene-3-carbaldehyde (CID 14113891) is 2-bromo-5-phenylthiophene-3-carbaldehyde.
What is the SMILES notation for 2-bromo-5-phenylthiophene-3-carbaldehyde?
The canonical SMILES for 2-bromo-5-phenylthiophene-3-carbaldehyde is O=Cc1cc(-c2ccccc2)sc1Br.
What is the InChIKey of 2-bromo-5-phenylthiophene-3-carbaldehyde?
The InChIKey is PNNQXYOKWBKBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrOS/c12-11-9(7-13)6-10(14-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-bromo-5-phenylthiophene-3-carbaldehyde?
2-bromo-5-phenylthiophene-3-carbaldehyde has a molecular weight of 267.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenylthiophene-3-carbaldehyde is sourced from PubChem (CID 14113891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).