4-bromo-2-chlorophenazin-1-ol

C12H6BrClN2O — CID 137126057

IUPAC4-bromo-2-chlorophenazin-1-ol
SMILESOc1c(Cl)cc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C12H6BrClN2O/c13-6-5-7(14)12(17)11-10(6)15-8-3-1-2-4-9(8)16-11/h1-5,17H
InChIKeySBUOUFNIZJVMRN-UHFFFAOYSA-N
MW309.55 g/mol
LogP3.90
Rot. Bonds

About 4-bromo-2-chlorophenazin-1-ol

4-bromo-2-chlorophenazin-1-ol (PubChem CID 137126057) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 4-bromo-2-chlorophenazin-1-ol.

Molecular Properties

Compound Name4-bromo-2-chlorophenazin-1-ol
PubChem CID137126057
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name4-bromo-2-chlorophenazin-1-ol
SMILESOc1c(Cl)cc(Br)c2nc3ccccc3nc12
InChIInChI=1S/C12H6BrClN2O/c13-6-5-7(14)12(17)11-10(6)15-8-3-1-2-4-9(8)16-11/h1-5,17H
InChIKeySBUOUFNIZJVMRN-UHFFFAOYSA-N
XLogP3.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
2-bromo-4-iodophenazin-1-ol
CID 137126074
4-chloro-2-iodophenazin-1-ol
CID 137126053
1,4-dibromophenazine
CID 121006625
phenazine-1,2,3-triol
CID 163378643
2,4-dimethylphenazin-1-ol;ethane
CID 145233565
(2,4-dibromophenazin-1-yl) 2,2,2-trichloroacetate
CID 118201301
4-bromo-6-ethyl-2-methylphenazin-1-ol
CID 158705177
(2,4-dibromophenazin-1-yl) benzoate
CID 118196898
2,4,8-tribromo-3-chlorophenazin-1-ol
CID 165155817
4-bromo-2,6,8-trimethylphenazin-1-ol
CID 157112481
(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate
CID 118201271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chlorophenazin-1-ol?
The IUPAC name of 4-bromo-2-chlorophenazin-1-ol (CID 137126057) is 4-bromo-2-chlorophenazin-1-ol.
What is the SMILES notation for 4-bromo-2-chlorophenazin-1-ol?
The canonical SMILES for 4-bromo-2-chlorophenazin-1-ol is Oc1c(Cl)cc(Br)c2nc3ccccc3nc12.
What is the InChIKey of 4-bromo-2-chlorophenazin-1-ol?
The InChIKey is SBUOUFNIZJVMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-6-5-7(14)12(17)11-10(6)15-8-3-1-2-4-9(8)16-11/h1-5,17H.
What are the key properties of 4-bromo-2-chlorophenazin-1-ol?
4-bromo-2-chlorophenazin-1-ol has a molecular weight of 309.55 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chlorophenazin-1-ol is sourced from PubChem (CID 137126057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).