5-bromo-3H-furo[2,3-b]pyridin-2-one

C7H4BrNO2 — CID 154613025

IUPAC5-bromo-3H-furo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(Br)cnc2O1
InChIInChI=1S/C7H4BrNO2/c8-5-1-4-2-6(10)11-7(4)9-3-5/h1,3H,2H2
InChIKeyPUHARSATOIPZPX-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.31
Rot. Bonds

About 5-bromo-3H-furo[2,3-b]pyridin-2-one

5-bromo-3H-furo[2,3-b]pyridin-2-one (PubChem CID 154613025) has the molecular formula C7H4BrNO2 and a molecular weight of 214.02 g/mol. Its IUPAC name is 5-bromo-3H-furo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3H-furo[2,3-b]pyridin-2-one
PubChem CID154613025
Molecular FormulaC7H4BrNO2
Molecular Weight214.02 g/mol
Exact Mass212.94
IUPAC Name5-bromo-3H-furo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(Br)cnc2O1
InChIInChI=1S/C7H4BrNO2/c8-5-1-4-2-6(10)11-7(4)9-3-5/h1,3H,2H2
InChIKeyPUHARSATOIPZPX-UHFFFAOYSA-N
XLogP1.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3H-furo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-3H-furo[2,3-b]pyridin-2-one (CID 154613025) is 5-bromo-3H-furo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-3H-furo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-3H-furo[2,3-b]pyridin-2-one is O=C1Cc2cc(Br)cnc2O1.
What is the InChIKey of 5-bromo-3H-furo[2,3-b]pyridin-2-one?
The InChIKey is PUHARSATOIPZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO2/c8-5-1-4-2-6(10)11-7(4)9-3-5/h1,3H,2H2.
What are the key properties of 5-bromo-3H-furo[2,3-b]pyridin-2-one?
5-bromo-3H-furo[2,3-b]pyridin-2-one has a molecular weight of 214.02 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3H-furo[2,3-b]pyridin-2-one is sourced from PubChem (CID 154613025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).