7-(bromomethyl)phenazin-1-ol

C13H9BrN2O — CID 137281663

IUPAC7-(bromomethyl)phenazin-1-ol
SMILESOc1cccc2nc3cc(CBr)ccc3nc12
InChIInChI=1S/C13H9BrN2O/c14-7-8-4-5-9-11(6-8)15-10-2-1-3-12(17)13(10)16-9/h1-6,17H,7H2
InChIKeyZKZGSOQXYOIJKX-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.38
Rot. Bonds1

About 7-(bromomethyl)phenazin-1-ol

7-(bromomethyl)phenazin-1-ol (PubChem CID 137281663) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 7-(bromomethyl)phenazin-1-ol.

Molecular Properties

Compound Name7-(bromomethyl)phenazin-1-ol
PubChem CID137281663
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name7-(bromomethyl)phenazin-1-ol
SMILESOc1cccc2nc3cc(CBr)ccc3nc12
InChIInChI=1S/C13H9BrN2O/c14-7-8-4-5-9-11(6-8)15-10-2-1-3-12(17)13(10)16-9/h1-6,17H,7H2
InChIKeyZKZGSOQXYOIJKX-UHFFFAOYSA-N
XLogP3.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)phenazin-1-ol?
The IUPAC name of 7-(bromomethyl)phenazin-1-ol (CID 137281663) is 7-(bromomethyl)phenazin-1-ol.
What is the SMILES notation for 7-(bromomethyl)phenazin-1-ol?
The canonical SMILES for 7-(bromomethyl)phenazin-1-ol is Oc1cccc2nc3cc(CBr)ccc3nc12.
What is the InChIKey of 7-(bromomethyl)phenazin-1-ol?
The InChIKey is ZKZGSOQXYOIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-7-8-4-5-9-11(6-8)15-10-2-1-3-12(17)13(10)16-9/h1-6,17H,7H2.
What are the key properties of 7-(bromomethyl)phenazin-1-ol?
7-(bromomethyl)phenazin-1-ol has a molecular weight of 289.13 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)phenazin-1-ol is sourced from PubChem (CID 137281663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).