3-bromothiophene-2-carbaldehyde

C5H3BrOS — CID 2797079

IUPAC3-bromothiophene-2-carbaldehyde
SMILESO=Cc1sccc1Br
InChIInChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKeyBCZHCWCOQDRYGS-UHFFFAOYSA-N
MW191.05 g/mol
LogP2.32
Rot. Bonds1

About 3-bromothiophene-2-carbaldehyde

3-bromothiophene-2-carbaldehyde (PubChem CID 2797079) has the molecular formula C5H3BrOS and a molecular weight of 191.05 g/mol. Its IUPAC name is 3-bromothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-bromothiophene-2-carbaldehyde
PubChem CID2797079
Molecular FormulaC5H3BrOS
Molecular Weight191.05 g/mol
Exact Mass189.91
IUPAC Name3-bromothiophene-2-carbaldehyde
SMILESO=Cc1sccc1Br
InChIInChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKeyBCZHCWCOQDRYGS-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.05
LogP ≤ 52.32
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 3-bromothiophene-2-carbaldehyde?
The IUPAC name of 3-bromothiophene-2-carbaldehyde (CID 2797079) is 3-bromothiophene-2-carbaldehyde.
What is the SMILES notation for 3-bromothiophene-2-carbaldehyde?
The canonical SMILES for 3-bromothiophene-2-carbaldehyde is O=Cc1sccc1Br.
What is the InChIKey of 3-bromothiophene-2-carbaldehyde?
The InChIKey is BCZHCWCOQDRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H.
What are the key properties of 3-bromothiophene-2-carbaldehyde?
3-bromothiophene-2-carbaldehyde has a molecular weight of 191.05 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromothiophene-2-carbaldehyde is sourced from PubChem (CID 2797079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).