2-bromo-8-chlorophenazine

C12H6BrClN2 — CID 119028483

IUPAC2-bromo-8-chlorophenazine
SMILESClc1ccc2nc3ccc(Br)cc3nc2c1
InChIInChI=1S/C12H6BrClN2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H
InChIKeyNPMUEYRUIHFBMY-UHFFFAOYSA-N
MW293.55 g/mol
LogP4.20
Rot. Bonds

About 2-bromo-8-chlorophenazine

2-bromo-8-chlorophenazine (PubChem CID 119028483) has the molecular formula C12H6BrClN2 and a molecular weight of 293.55 g/mol. Its IUPAC name is 2-bromo-8-chlorophenazine.

Molecular Properties

Compound Name2-bromo-8-chlorophenazine
PubChem CID119028483
Molecular FormulaC12H6BrClN2
Molecular Weight293.55 g/mol
Exact Mass291.94
IUPAC Name2-bromo-8-chlorophenazine
SMILESClc1ccc2nc3ccc(Br)cc3nc2c1
InChIInChI=1S/C12H6BrClN2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H
InChIKeyNPMUEYRUIHFBMY-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-chlorophenazine?
The IUPAC name of 2-bromo-8-chlorophenazine (CID 119028483) is 2-bromo-8-chlorophenazine.
What is the SMILES notation for 2-bromo-8-chlorophenazine?
The canonical SMILES for 2-bromo-8-chlorophenazine is Clc1ccc2nc3ccc(Br)cc3nc2c1.
What is the InChIKey of 2-bromo-8-chlorophenazine?
The InChIKey is NPMUEYRUIHFBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H.
What are the key properties of 2-bromo-8-chlorophenazine?
2-bromo-8-chlorophenazine has a molecular weight of 293.55 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-chlorophenazine is sourced from PubChem (CID 119028483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).