6-bromo-1H-furo[3,4-c]pyridin-3-one

C7H4BrNO2 — CID 130116213

IUPAC6-bromo-1H-furo[3,4-c]pyridin-3-one
SMILESO=C1OCc2cc(Br)ncc21
InChIInChI=1S/C7H4BrNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2
InChIKeyNAEOGYJCZYKXPU-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.51
Rot. Bonds

About 6-bromo-1H-furo[3,4-c]pyridin-3-one

6-bromo-1H-furo[3,4-c]pyridin-3-one (PubChem CID 130116213) has the molecular formula C7H4BrNO2 and a molecular weight of 214.02 g/mol. Its IUPAC name is 6-bromo-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-bromo-1H-furo[3,4-c]pyridin-3-one
PubChem CID130116213
Molecular FormulaC7H4BrNO2
Molecular Weight214.02 g/mol
Exact Mass212.94
IUPAC Name6-bromo-1H-furo[3,4-c]pyridin-3-one
SMILESO=C1OCc2cc(Br)ncc21
InChIInChI=1S/C7H4BrNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2
InChIKeyNAEOGYJCZYKXPU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 6-bromo-1H-furo[3,4-c]pyridin-3-one (CID 130116213) is 6-bromo-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-bromo-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-bromo-1H-furo[3,4-c]pyridin-3-one is O=C1OCc2cc(Br)ncc21.
What is the InChIKey of 6-bromo-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is NAEOGYJCZYKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2.
What are the key properties of 6-bromo-1H-furo[3,4-c]pyridin-3-one?
6-bromo-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 214.02 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 130116213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).