8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione

C9H5BrClNO3 — CID 104725255

IUPAC8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cc(Br)c2[nH]c(=O)oc(=O)c2c1Cl
InChIInChI=1S/C9H5BrClNO3/c1-3-2-4(10)7-5(6(3)11)8(13)15-9(14)12-7/h2H,1H3,(H,12,14)
InChIKeyYZUZGPMDIRUTJI-UHFFFAOYSA-N
MW290.50 g/mol
LogP2.21
Rot. Bonds

About 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione

8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione (PubChem CID 104725255) has the molecular formula C9H5BrClNO3 and a molecular weight of 290.50 g/mol. Its IUPAC name is 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione
PubChem CID104725255
Molecular FormulaC9H5BrClNO3
Molecular Weight290.50 g/mol
Exact Mass288.91
IUPAC Name8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cc(Br)c2[nH]c(=O)oc(=O)c2c1Cl
InChIInChI=1S/C9H5BrClNO3/c1-3-2-4(10)7-5(6(3)11)8(13)15-9(14)12-7/h2H,1H3,(H,12,14)
InChIKeyYZUZGPMDIRUTJI-UHFFFAOYSA-N
XLogP2.21
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione with MolForge

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Related Compounds

6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione
CID 122200694
5-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 63109373
5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one
CID 107663268
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 63109398
7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 57283159
ethyl 8-bromo-5-chloro-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 104725011
8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 170859899
1-bromo-2,5-dichloro-3-methylbenzene
CID 44891130
6-chloro-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 86670580
7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 130065009
6-bromo-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 121349149

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione (CID 104725255) is 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione is Cc1cc(Br)c2[nH]c(=O)oc(=O)c2c1Cl.
What is the InChIKey of 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is YZUZGPMDIRUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO3/c1-3-2-4(10)7-5(6(3)11)8(13)15-9(14)12-7/h2H,1H3,(H,12,14).
What are the key properties of 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione?
8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 290.50 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 104725255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).