3-bromo-10H-phenoxazine

C12H8BrNO — CID 71007119

IUPAC3-bromo-10H-phenoxazine
SMILESBrc1ccc2c(c1)Oc1ccccc1N2
InChIInChI=1S/C12H8BrNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H
InChIKeyHSXDCQJBXRAVSM-UHFFFAOYSA-N
MW262.11 g/mol
LogP4.30
Rot. Bonds

About 3-bromo-10H-phenoxazine

3-bromo-10H-phenoxazine (PubChem CID 71007119) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 3-bromo-10H-phenoxazine.

Molecular Properties

Compound Name3-bromo-10H-phenoxazine
PubChem CID71007119
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name3-bromo-10H-phenoxazine
SMILESBrc1ccc2c(c1)Oc1ccccc1N2
InChIInChI=1S/C12H8BrNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H
InChIKeyHSXDCQJBXRAVSM-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-10H-phenoxazine?
The IUPAC name of 3-bromo-10H-phenoxazine (CID 71007119) is 3-bromo-10H-phenoxazine.
What is the SMILES notation for 3-bromo-10H-phenoxazine?
The canonical SMILES for 3-bromo-10H-phenoxazine is Brc1ccc2c(c1)Oc1ccccc1N2.
What is the InChIKey of 3-bromo-10H-phenoxazine?
The InChIKey is HSXDCQJBXRAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H.
What are the key properties of 3-bromo-10H-phenoxazine?
3-bromo-10H-phenoxazine has a molecular weight of 262.11 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10H-phenoxazine is sourced from PubChem (CID 71007119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).