10-bromophenoxazine

C12H8BrNO — CID 141423355

IUPAC10-bromophenoxazine
SMILESBrN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H8BrNO/c13-14-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKeySYCRGMUBTIBQOX-UHFFFAOYSA-N
MW262.11 g/mol
LogP4.24
Rot. Bonds

About 10-bromophenoxazine

10-bromophenoxazine (PubChem CID 141423355) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 10-bromophenoxazine.

Molecular Properties

Compound Name10-bromophenoxazine
PubChem CID141423355
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name10-bromophenoxazine
SMILESBrN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H8BrNO/c13-14-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKeySYCRGMUBTIBQOX-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-bromophenoxazine?
The IUPAC name of 10-bromophenoxazine (CID 141423355) is 10-bromophenoxazine.
What is the SMILES notation for 10-bromophenoxazine?
The canonical SMILES for 10-bromophenoxazine is BrN1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-bromophenoxazine?
The InChIKey is SYCRGMUBTIBQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-14-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H.
What are the key properties of 10-bromophenoxazine?
10-bromophenoxazine has a molecular weight of 262.11 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromophenoxazine is sourced from PubChem (CID 141423355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).