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

C8H4BrNO2 — CID 46737914

IUPAC6-bromofuro[3,2-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2ncc(Br)cc2o1
InChIInChI=1S/C8H4BrNO2/c9-5-1-8-7(10-3-5)2-6(4-11)12-8/h1-4H
InChIKeyGKQNDTWNODMNSB-UHFFFAOYSA-N
MW226.03 g/mol
LogP2.40
Rot. Bonds1

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

6-bromofuro[3,2-b]pyridine-2-carbaldehyde (PubChem CID 46737914) has the molecular formula C8H4BrNO2 and a molecular weight of 226.03 g/mol. Its IUPAC name is 6-bromofuro[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-bromofuro[3,2-b]pyridine-2-carbaldehyde
PubChem CID46737914
Molecular FormulaC8H4BrNO2
Molecular Weight226.03 g/mol
Exact Mass224.94
IUPAC Name6-bromofuro[3,2-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2ncc(Br)cc2o1
InChIInChI=1S/C8H4BrNO2/c9-5-1-8-7(10-3-5)2-6(4-11)12-8/h1-4H
InChIKeyGKQNDTWNODMNSB-UHFFFAOYSA-N
XLogP2.40
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromofuro[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-bromofuro[3,2-b]pyridine-2-carbaldehyde (CID 46737914) is 6-bromofuro[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-bromofuro[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-bromofuro[3,2-b]pyridine-2-carbaldehyde is O=Cc1cc2ncc(Br)cc2o1.
What is the InChIKey of 6-bromofuro[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is GKQNDTWNODMNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2/c9-5-1-8-7(10-3-5)2-6(4-11)12-8/h1-4H.
What are the key properties of 6-bromofuro[3,2-b]pyridine-2-carbaldehyde?
6-bromofuro[3,2-b]pyridine-2-carbaldehyde has a molecular weight of 226.03 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromofuro[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 46737914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).