5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione

C9H6BrNO4 — CID 63109398

IUPAC5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(Br)c2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6BrNO4/c1-14-5-3-2-4(10)6-7(5)11-9(13)15-8(6)12/h2-3H,1H3,(H,11,13)
InChIKeyOMIWYFVXSRBWTH-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.25
Rot. Bonds1

About 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione

5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione (PubChem CID 63109398) has the molecular formula C9H6BrNO4 and a molecular weight of 272.05 g/mol. Its IUPAC name is 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
PubChem CID63109398
Molecular FormulaC9H6BrNO4
Molecular Weight272.05 g/mol
Exact Mass270.95
IUPAC Name5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(Br)c2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6BrNO4/c1-14-5-3-2-4(10)6-7(5)11-9(13)15-8(6)12/h2-3H,1H3,(H,11,13)
InChIKeyOMIWYFVXSRBWTH-UHFFFAOYSA-N
XLogP1.25
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methoxy-1H-benzo[d][1,3]oxazine-2,4-dione
CID 10559679
5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
CID 54967410
5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one
CID 62891409
6-fluoro-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 63109395
5-bromo-8-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63744053
3-(Trifluoromethoxy)isatoic anhydride
CID 122360697
Methyl 2-amino-6-bromo-3-(trifluoromethoxy)benzoate
CID 134634081
6-Bromo-3-methoxy-2-(2,2,2-trifluoroacetamido)benzoic acid
CID 165937004
N-(3-bromo-2-formyl-6-methoxyphenyl)acetamide
CID 262349
Methyl-4-hydroxy-5-bromo-8-methoxy-quinoline-2-carboxylate
CID 9815212
Methyl-4-hydroxy-5-bromo-8-benzyloxy-quinoline-2-carboxylate
CID 10271578
2-Amino-6-bromo-3-methoxybenzoic acid
CID 12532260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione (CID 63109398) is 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione is COc1ccc(Br)c2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is OMIWYFVXSRBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO4/c1-14-5-3-2-4(10)6-7(5)11-9(13)15-8(6)12/h2-3H,1H3,(H,11,13).
What are the key properties of 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione?
5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 272.05 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 63109398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).