2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one

C7H6BrNO2 — CID 96611333

IUPAC2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one
SMILESO=C1CCNc2oc(Br)cc21
InChIInChI=1S/C7H6BrNO2/c8-6-3-4-5(10)1-2-9-7(4)11-6/h3,9H,1-2H2
InChIKeyVDSRFAFAJRKIHQ-UHFFFAOYSA-N
MW216.03 g/mol
LogP2.04
Rot. Bonds

About 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one

2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one (PubChem CID 96611333) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one
PubChem CID96611333
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one
SMILESO=C1CCNc2oc(Br)cc21
InChIInChI=1S/C7H6BrNO2/c8-6-3-4-5(10)1-2-9-7(4)11-6/h3,9H,1-2H2
InChIKeyVDSRFAFAJRKIHQ-UHFFFAOYSA-N
XLogP2.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one?
The IUPAC name of 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one (CID 96611333) is 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one?
The canonical SMILES for 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one is O=C1CCNc2oc(Br)cc21.
What is the InChIKey of 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one?
The InChIKey is VDSRFAFAJRKIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-6-3-4-5(10)1-2-9-7(4)11-6/h3,9H,1-2H2.
What are the key properties of 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one?
2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one has a molecular weight of 216.03 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dihydro-5H-furo[2,3-b]pyridin-4-one is sourced from PubChem (CID 96611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).