6-bromo-2-methyl-4H-3,1-benzoxazine

C9H8BrNO — CID 132993150

IUPAC6-bromo-2-methyl-4H-3,1-benzoxazine
SMILESCC1=Nc2ccc(Br)cc2CO1
InChIInChI=1S/C9H8BrNO/c1-6-11-9-3-2-8(10)4-7(9)5-12-6/h2-4H,5H2,1H3
InChIKeyRDZAGXASXMIPSX-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.03
Rot. Bonds

About 6-bromo-2-methyl-4H-3,1-benzoxazine

6-bromo-2-methyl-4H-3,1-benzoxazine (PubChem CID 132993150) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6-bromo-2-methyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name6-bromo-2-methyl-4H-3,1-benzoxazine
PubChem CID132993150
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6-bromo-2-methyl-4H-3,1-benzoxazine
SMILESCC1=Nc2ccc(Br)cc2CO1
InChIInChI=1S/C9H8BrNO/c1-6-11-9-3-2-8(10)4-7(9)5-12-6/h2-4H,5H2,1H3
InChIKeyRDZAGXASXMIPSX-UHFFFAOYSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-4H-3,1-benzoxazine?
The IUPAC name of 6-bromo-2-methyl-4H-3,1-benzoxazine (CID 132993150) is 6-bromo-2-methyl-4H-3,1-benzoxazine.
What is the SMILES notation for 6-bromo-2-methyl-4H-3,1-benzoxazine?
The canonical SMILES for 6-bromo-2-methyl-4H-3,1-benzoxazine is CC1=Nc2ccc(Br)cc2CO1.
What is the InChIKey of 6-bromo-2-methyl-4H-3,1-benzoxazine?
The InChIKey is RDZAGXASXMIPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c1-6-11-9-3-2-8(10)4-7(9)5-12-6/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-2-methyl-4H-3,1-benzoxazine?
6-bromo-2-methyl-4H-3,1-benzoxazine has a molecular weight of 226.07 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-4H-3,1-benzoxazine is sourced from PubChem (CID 132993150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).