2-bromo-4-iodophenazin-1-ol

C12H6BrIN2O — CID 137126074

IUPAC2-bromo-4-iodophenazin-1-ol
SMILESOc1c(Br)cc(I)c2nc3ccccc3nc12
InChIInChI=1S/C12H6BrIN2O/c13-6-5-7(14)10-11(12(6)17)16-9-4-2-1-3-8(9)15-10/h1-5,17H
InChIKeyKZTBVFBYVCDDHB-UHFFFAOYSA-N
MW401.00 g/mol
LogP3.86
Rot. Bonds

About 2-bromo-4-iodophenazin-1-ol

2-bromo-4-iodophenazin-1-ol (PubChem CID 137126074) has the molecular formula C12H6BrIN2O and a molecular weight of 401.00 g/mol. Its IUPAC name is 2-bromo-4-iodophenazin-1-ol.

Molecular Properties

Compound Name2-bromo-4-iodophenazin-1-ol
PubChem CID137126074
Molecular FormulaC12H6BrIN2O
Molecular Weight401.00 g/mol
Exact Mass399.87
IUPAC Name2-bromo-4-iodophenazin-1-ol
SMILESOc1c(Br)cc(I)c2nc3ccccc3nc12
InChIInChI=1S/C12H6BrIN2O/c13-6-5-7(14)10-11(12(6)17)16-9-4-2-1-3-8(9)15-10/h1-5,17H
InChIKeyKZTBVFBYVCDDHB-UHFFFAOYSA-N
XLogP3.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.00
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinoxalino[2,3-b]phenazine-6,13-diol
CID 139171720
4-bromo-2-chlorophenazin-1-ol
CID 137126057
4-chloro-2-iodophenazin-1-ol
CID 137126053
1,4-dibromophenazine
CID 121006625
2,4-dimethylphenazin-1-ol;ethane
CID 145233565
phenazine-1,2,3-triol
CID 163378643
2,3-diaminophenazin-1-ol
CID 171618419
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331
2-phenylfuro[3,2-b]quinoxalin-3-ol
CID 44631720
4-bromo-6-ethyl-2-methylphenazin-1-ol
CID 158705177
3,4-dimethylphenazin-2-ol
CID 136700372
2,3-dihydroxyphenazine-1-carboxylic acid
CID 135697364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodophenazin-1-ol?
The IUPAC name of 2-bromo-4-iodophenazin-1-ol (CID 137126074) is 2-bromo-4-iodophenazin-1-ol.
What is the SMILES notation for 2-bromo-4-iodophenazin-1-ol?
The canonical SMILES for 2-bromo-4-iodophenazin-1-ol is Oc1c(Br)cc(I)c2nc3ccccc3nc12.
What is the InChIKey of 2-bromo-4-iodophenazin-1-ol?
The InChIKey is KZTBVFBYVCDDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrIN2O/c13-6-5-7(14)10-11(12(6)17)16-9-4-2-1-3-8(9)15-10/h1-5,17H.
What are the key properties of 2-bromo-4-iodophenazin-1-ol?
2-bromo-4-iodophenazin-1-ol has a molecular weight of 401.00 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodophenazin-1-ol is sourced from PubChem (CID 137126074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).