7-bromo-1-methylphenazine

C13H9BrN2 — CID 70908217

IUPAC7-bromo-1-methylphenazine
SMILESCc1cccc2nc3cc(Br)ccc3nc12
InChIInChI=1S/C13H9BrN2/c1-8-3-2-4-11-13(8)16-10-6-5-9(14)7-12(10)15-11/h2-7H,1H3
InChIKeyQFHJETOROFAVAO-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.85
Rot. Bonds

About 7-bromo-1-methylphenazine

7-bromo-1-methylphenazine (PubChem CID 70908217) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 7-bromo-1-methylphenazine.

Molecular Properties

Compound Name7-bromo-1-methylphenazine
PubChem CID70908217
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name7-bromo-1-methylphenazine
SMILESCc1cccc2nc3cc(Br)ccc3nc12
InChIInChI=1S/C13H9BrN2/c1-8-3-2-4-11-13(8)16-10-6-5-9(14)7-12(10)15-11/h2-7H,1H3
InChIKeyQFHJETOROFAVAO-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.85
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 7-bromo-1-methylphenazine?
The IUPAC name of 7-bromo-1-methylphenazine (CID 70908217) is 7-bromo-1-methylphenazine.
What is the SMILES notation for 7-bromo-1-methylphenazine?
The canonical SMILES for 7-bromo-1-methylphenazine is Cc1cccc2nc3cc(Br)ccc3nc12.
What is the InChIKey of 7-bromo-1-methylphenazine?
The InChIKey is QFHJETOROFAVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c1-8-3-2-4-11-13(8)16-10-6-5-9(14)7-12(10)15-11/h2-7H,1H3.
What are the key properties of 7-bromo-1-methylphenazine?
7-bromo-1-methylphenazine has a molecular weight of 273.13 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylphenazine is sourced from PubChem (CID 70908217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).