8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C10H5BrN2O2 — CID 135461314

IUPAC8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1oc1ccc(Br)cc12
InChIInChI=1S/C10H5BrN2O2/c11-5-1-2-7-6(3-5)8-9(15-7)10(14)13-4-12-8/h1-4H,(H,12,13,14)
InChIKeyLCWIMYAVOHBYBI-UHFFFAOYSA-N
MW265.07 g/mol
LogP2.43
Rot. Bonds

About 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135461314) has the molecular formula C10H5BrN2O2 and a molecular weight of 265.07 g/mol. Its IUPAC name is 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135461314
Molecular FormulaC10H5BrN2O2
Molecular Weight265.07 g/mol
Exact Mass263.95
IUPAC Name8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1oc1ccc(Br)cc12
InChIInChI=1S/C10H5BrN2O2/c11-5-1-2-7-6(3-5)8-9(15-7)10(14)13-4-12-8/h1-4H,(H,12,13,14)
InChIKeyLCWIMYAVOHBYBI-UHFFFAOYSA-N
XLogP2.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135461314) is 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c1oc1ccc(Br)cc12.
What is the InChIKey of 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is LCWIMYAVOHBYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O2/c11-5-1-2-7-6(3-5)8-9(15-7)10(14)13-4-12-8/h1-4H,(H,12,13,14).
What are the key properties of 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 265.07 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135461314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).