6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde

C9H4BrNO3 — CID 130290295

IUPAC6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1coc2ccc(Br)nc2c1=O
InChIInChI=1S/C9H4BrNO3/c10-7-2-1-6-8(11-7)9(13)5(3-12)4-14-6/h1-4H
InChIKeyFKGFFLAYKKUNDH-UHFFFAOYSA-N
MW254.04 g/mol
LogP1.76
Rot. Bonds1

About 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde

6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde (PubChem CID 130290295) has the molecular formula C9H4BrNO3 and a molecular weight of 254.04 g/mol. Its IUPAC name is 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde
PubChem CID130290295
Molecular FormulaC9H4BrNO3
Molecular Weight254.04 g/mol
Exact Mass252.94
IUPAC Name6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1coc2ccc(Br)nc2c1=O
InChIInChI=1S/C9H4BrNO3/c10-7-2-1-6-8(11-7)9(13)5(3-12)4-14-6/h1-4H
InChIKeyFKGFFLAYKKUNDH-UHFFFAOYSA-N
XLogP1.76
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.04
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde (CID 130290295) is 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde is O=Cc1coc2ccc(Br)nc2c1=O.
What is the InChIKey of 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is FKGFFLAYKKUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrNO3/c10-7-2-1-6-8(11-7)9(13)5(3-12)4-14-6/h1-4H.
What are the key properties of 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde?
6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 254.04 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 130290295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).