6-bromo-3,1-benzoxazin-4-one

C8H4BrNO2 — CID 56923660

IUPAC6-bromo-3,1-benzoxazin-4-one
SMILESO=c1ocnc2ccc(Br)cc12
InChIInChI=1S/C8H4BrNO2/c9-5-1-2-7-6(3-5)8(11)12-4-10-7/h1-4H
InChIKeyRJIZHRFAWBZRDN-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.95
Rot. Bonds

About 6-bromo-3,1-benzoxazin-4-one

6-bromo-3,1-benzoxazin-4-one (PubChem CID 56923660) has the molecular formula C8H4BrNO2 and a molecular weight of 226.03 g/mol. Its IUPAC name is 6-bromo-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-3,1-benzoxazin-4-one
PubChem CID56923660
Molecular FormulaC8H4BrNO2
Molecular Weight226.03 g/mol
Exact Mass224.94
IUPAC Name6-bromo-3,1-benzoxazin-4-one
SMILESO=c1ocnc2ccc(Br)cc12
InChIInChI=1S/C8H4BrNO2/c9-5-1-2-7-6(3-5)8(11)12-4-10-7/h1-4H
InChIKeyRJIZHRFAWBZRDN-UHFFFAOYSA-N
XLogP1.95
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxo-3,1-benzoxazin-6-yl) pentadecanoate
CID 139648422
6-hydroxy-7-methoxy-3,1-benzoxazin-4-one
CID 18445191
6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
6-bromo-4-chloroquinazoline;hydrochloride
CID 75529861
6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
4-amino-6-bromoquinoline-3-carbaldehyde
CID 144846091
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one
CID 9323110
8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
2,7,11-tribromophenanthro[9,10-b]quinoxaline
CID 162716062
6-bromo-2-(2-ethoxyphenyl)-3,1-benzoxazin-4-one
CID 1253920

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,1-benzoxazin-4-one?
The IUPAC name of 6-bromo-3,1-benzoxazin-4-one (CID 56923660) is 6-bromo-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-3,1-benzoxazin-4-one?
The canonical SMILES for 6-bromo-3,1-benzoxazin-4-one is O=c1ocnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-3,1-benzoxazin-4-one?
The InChIKey is RJIZHRFAWBZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2/c9-5-1-2-7-6(3-5)8(11)12-4-10-7/h1-4H.
What are the key properties of 6-bromo-3,1-benzoxazin-4-one?
6-bromo-3,1-benzoxazin-4-one has a molecular weight of 226.03 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,1-benzoxazin-4-one is sourced from PubChem (CID 56923660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).