6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one

C12H6BrNO3 — CID 744266

IUPAC6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2ccc(Br)cc12
InChIInChI=1S/C12H6BrNO3/c13-7-3-4-9-8(6-7)12(15)17-11(14-9)10-2-1-5-16-10/h1-6H
InChIKeyOITCTVDJVATGCK-UHFFFAOYSA-N
MW292.09 g/mol
LogP3.21
Rot. Bonds1

About 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one

6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one (PubChem CID 744266) has the molecular formula C12H6BrNO3 and a molecular weight of 292.09 g/mol. Its IUPAC name is 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one
PubChem CID744266
Molecular FormulaC12H6BrNO3
Molecular Weight292.09 g/mol
Exact Mass290.95
IUPAC Name6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2ccc(Br)cc12
InChIInChI=1S/C12H6BrNO3/c13-7-3-4-9-8(6-7)12(15)17-11(14-9)10-2-1-5-16-10/h1-6H
InChIKeyOITCTVDJVATGCK-UHFFFAOYSA-N
XLogP3.21
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one (CID 744266) is 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccco2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is OITCTVDJVATGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrNO3/c13-7-3-4-9-8(6-7)12(15)17-11(14-9)10-2-1-5-16-10/h1-6H.
What are the key properties of 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one?
6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one has a molecular weight of 292.09 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(furan-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).