6-bromo-2-methyl-3,1-benzoxazin-4-one

C9H6BrNO2 — CID 2797142

IUPAC6-bromo-2-methyl-3,1-benzoxazin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)o1
InChIInChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
InChIKeyJCRULBKTDUOWMP-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.26
Rot. Bonds

About 6-bromo-2-methyl-3,1-benzoxazin-4-one

6-bromo-2-methyl-3,1-benzoxazin-4-one (PubChem CID 2797142) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-2-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3,1-benzoxazin-4-one
PubChem CID2797142
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name6-bromo-2-methyl-3,1-benzoxazin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)o1
InChIInChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
InChIKeyJCRULBKTDUOWMP-UHFFFAOYSA-N
XLogP2.26
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 6-bromo-2-methyl-3,1-benzoxazin-4-one (CID 2797142) is 6-bromo-2-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3,1-benzoxazin-4-one is Cc1nc2ccc(Br)cc2c(=O)o1.
What is the InChIKey of 6-bromo-2-methyl-3,1-benzoxazin-4-one?
The InChIKey is JCRULBKTDUOWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3.
What are the key properties of 6-bromo-2-methyl-3,1-benzoxazin-4-one?
6-bromo-2-methyl-3,1-benzoxazin-4-one has a molecular weight of 240.06 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 2797142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).