6-bromothieno[2,3-b]pyridine-2-carbaldehyde

C8H4BrNOS — CID 82387205

IUPAC6-bromothieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2ccc(Br)nc2s1
InChIInChI=1S/C8H4BrNOS/c9-7-2-1-5-3-6(4-11)12-8(5)10-7/h1-4H
InChIKeyVUSYPJDZQHWNNI-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.87
Rot. Bonds1

About 6-bromothieno[2,3-b]pyridine-2-carbaldehyde

6-bromothieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 82387205) has the molecular formula C8H4BrNOS and a molecular weight of 242.10 g/mol. Its IUPAC name is 6-bromothieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-bromothieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID82387205
Molecular FormulaC8H4BrNOS
Molecular Weight242.10 g/mol
Exact Mass240.92
IUPAC Name6-bromothieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2ccc(Br)nc2s1
InChIInChI=1S/C8H4BrNOS/c9-7-2-1-5-3-6(4-11)12-8(5)10-7/h1-4H
InChIKeyVUSYPJDZQHWNNI-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
CID 177202395
6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125451453
6-piperidin-4-ylthieno[2,3-b]pyridine-2-carbaldehyde
CID 170747715
6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 170747425
6-bromo-7-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130951685
2-ethylsulfanylthieno[2,3-d]pyrimidine-6-carbaldehyde
CID 142801611
6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde
CID 170747513
6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 177202429
2,4-diaminothieno[2,3-d]pyrimidine-6-carbaldehyde
CID 143488193
6-bromo-5-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 130854969
5-amino-6-bromo-1-benzothiophene-2-carbaldehyde
CID 131053989
6-amino-7-(bromomethyl)-1-benzothiophene-2-carbaldehyde
CID 131098336

Frequently Asked Questions

What is the IUPAC name of 6-bromothieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-bromothieno[2,3-b]pyridine-2-carbaldehyde (CID 82387205) is 6-bromothieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-bromothieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-bromothieno[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2ccc(Br)nc2s1.
What is the InChIKey of 6-bromothieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is VUSYPJDZQHWNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNOS/c9-7-2-1-5-3-6(4-11)12-8(5)10-7/h1-4H.
What are the key properties of 6-bromothieno[2,3-b]pyridine-2-carbaldehyde?
6-bromothieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 242.10 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromothieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 82387205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).