1-bromo-4-methoxyphenazine

C13H9BrN2O — CID 625699

IUPAC1-bromo-4-methoxyphenazine
SMILESCOc1ccc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C13H9BrN2O/c1-17-11-7-6-8(14)12-13(11)16-10-5-3-2-4-9(10)15-12/h2-7H,1H3
InChIKeyBTPLLEQWBPUCQB-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.55
Rot. Bonds1

About 1-bromo-4-methoxyphenazine

1-bromo-4-methoxyphenazine (PubChem CID 625699) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-bromo-4-methoxyphenazine.

Molecular Properties

Compound Name1-bromo-4-methoxyphenazine
PubChem CID625699
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name1-bromo-4-methoxyphenazine
SMILESCOc1ccc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C13H9BrN2O/c1-17-11-7-6-8(14)12-13(11)16-10-5-3-2-4-9(10)15-12/h2-7H,1H3
InChIKeyBTPLLEQWBPUCQB-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-bromo-4-methoxyphenazine?
The IUPAC name of 1-bromo-4-methoxyphenazine (CID 625699) is 1-bromo-4-methoxyphenazine.
What is the SMILES notation for 1-bromo-4-methoxyphenazine?
The canonical SMILES for 1-bromo-4-methoxyphenazine is COc1ccc(Br)c2nc3ccccc3nc12.
What is the InChIKey of 1-bromo-4-methoxyphenazine?
The InChIKey is BTPLLEQWBPUCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c1-17-11-7-6-8(14)12-13(11)16-10-5-3-2-4-9(10)15-12/h2-7H,1H3.
What are the key properties of 1-bromo-4-methoxyphenazine?
1-bromo-4-methoxyphenazine has a molecular weight of 289.13 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxyphenazine is sourced from PubChem (CID 625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).