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

C8H4BrNO2 — CID 50987380

IUPAC5-bromofuro[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2cc(Br)cnc2o1
InChIInChI=1S/C8H4BrNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-4H
InChIKeyFMQUMCDYSZFKLX-UHFFFAOYSA-N
MW226.03 g/mol
LogP2.40
Rot. Bonds1

About 5-bromofuro[2,3-b]pyridine-2-carbaldehyde

5-bromofuro[2,3-b]pyridine-2-carbaldehyde (PubChem CID 50987380) has the molecular formula C8H4BrNO2 and a molecular weight of 226.03 g/mol. Its IUPAC name is 5-bromofuro[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromofuro[2,3-b]pyridine-2-carbaldehyde
PubChem CID50987380
Molecular FormulaC8H4BrNO2
Molecular Weight226.03 g/mol
Exact Mass224.94
IUPAC Name5-bromofuro[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2cc(Br)cnc2o1
InChIInChI=1S/C8H4BrNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-4H
InChIKeyFMQUMCDYSZFKLX-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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Related Compounds

Furo[2,3-b]pyridine-2-carbaldehyde
CID 642125
Furo[2,3-b]pyridine
CID 12421098
5-Bromofuro[2,3-b]pyridine
CID 10679449
Furo[3,2-c]pyridine-2-carbaldehyde
CID 642131
Furo(2,3-b)pyridine-2-carboxylic acid
CID 15743086
5-Chlorofuro(2,3-b)pyridine-2-carbaldehyde
CID 50988855
5-Bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine
CID 59233714
5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine
CID 66733614
7-Bromofuro(3,2-c)pyridine-2-carbaldehyde
CID 82391575
6-Bromofuro[3,2-c]pyridine
CID 82398514
2-(5-Bromo-3-pyridinyl)-1-(furan-2-yl)ethanone
CID 16203686
Furo(2,3-b)pyridine-5-carbonitrile
CID 10820652

Frequently Asked Questions

What is the IUPAC name of 5-bromofuro[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-bromofuro[2,3-b]pyridine-2-carbaldehyde (CID 50987380) is 5-bromofuro[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromofuro[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromofuro[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2cc(Br)cnc2o1.
What is the InChIKey of 5-bromofuro[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is FMQUMCDYSZFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-4H.
What are the key properties of 5-bromofuro[2,3-b]pyridine-2-carbaldehyde?
5-bromofuro[2,3-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 5-bromofuro[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 50987380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).