6-bromo-10H-phenoxazin-1-amine

C12H9BrN2O — CID 122470281

IUPAC6-bromo-10H-phenoxazin-1-amine
SMILESNc1cccc2c1Nc1cccc(Br)c1O2
InChIInChI=1S/C12H9BrN2O/c13-7-3-1-5-9-12(7)16-10-6-2-4-8(14)11(10)15-9/h1-6,15H,14H2
InChIKeyNTYDWJMJHSZMGB-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.88
Rot. Bonds

About 6-bromo-10H-phenoxazin-1-amine

6-bromo-10H-phenoxazin-1-amine (PubChem CID 122470281) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 6-bromo-10H-phenoxazin-1-amine.

Molecular Properties

Compound Name6-bromo-10H-phenoxazin-1-amine
PubChem CID122470281
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name6-bromo-10H-phenoxazin-1-amine
SMILESNc1cccc2c1Nc1cccc(Br)c1O2
InChIInChI=1S/C12H9BrN2O/c13-7-3-1-5-9-12(7)16-10-6-2-4-8(14)11(10)15-9/h1-6,15H,14H2
InChIKeyNTYDWJMJHSZMGB-UHFFFAOYSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-10H-phenoxazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-10H-phenoxazin-1-amine?
The IUPAC name of 6-bromo-10H-phenoxazin-1-amine (CID 122470281) is 6-bromo-10H-phenoxazin-1-amine.
What is the SMILES notation for 6-bromo-10H-phenoxazin-1-amine?
The canonical SMILES for 6-bromo-10H-phenoxazin-1-amine is Nc1cccc2c1Nc1cccc(Br)c1O2.
What is the InChIKey of 6-bromo-10H-phenoxazin-1-amine?
The InChIKey is NTYDWJMJHSZMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-7-3-1-5-9-12(7)16-10-6-2-4-8(14)11(10)15-9/h1-6,15H,14H2.
What are the key properties of 6-bromo-10H-phenoxazin-1-amine?
6-bromo-10H-phenoxazin-1-amine has a molecular weight of 277.12 g/mol, XLogP of 3.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-10H-phenoxazin-1-amine is sourced from PubChem (CID 122470281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).