2,4,8-tribromo-3-chlorophenazin-1-ol

C12H4Br3ClN2O — CID 165155817

IUPAC2,4,8-tribromo-3-chlorophenazin-1-ol
SMILESOc1c(Br)c(Cl)c(Br)c2nc3ccc(Br)cc3nc12
InChIInChI=1S/C12H4Br3ClN2O/c13-4-1-2-5-6(3-4)18-11-10(17-5)7(14)9(16)8(15)12(11)19/h1-3,19H
InChIKeyFYAAZCSFMMFALN-UHFFFAOYSA-N
MW467.34 g/mol
LogP5.43
Rot. Bonds

About 2,4,8-tribromo-3-chlorophenazin-1-ol

2,4,8-tribromo-3-chlorophenazin-1-ol (PubChem CID 165155817) has the molecular formula C12H4Br3ClN2O and a molecular weight of 467.34 g/mol. Its IUPAC name is 2,4,8-tribromo-3-chlorophenazin-1-ol.

Molecular Properties

Compound Name2,4,8-tribromo-3-chlorophenazin-1-ol
PubChem CID165155817
Molecular FormulaC12H4Br3ClN2O
Molecular Weight467.34 g/mol
Exact Mass463.76
IUPAC Name2,4,8-tribromo-3-chlorophenazin-1-ol
SMILESOc1c(Br)c(Cl)c(Br)c2nc3ccc(Br)cc3nc12
InChIInChI=1S/C12H4Br3ClN2O/c13-4-1-2-5-6(3-4)18-11-10(17-5)7(14)9(16)8(15)12(11)19/h1-3,19H
InChIKeyFYAAZCSFMMFALN-UHFFFAOYSA-N
XLogP5.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.34
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-8-chlorophenazine
CID 119028483
2,7,11-tribromophenanthro[9,10-b]quinoxaline
CID 162716062
4-bromo-2-chlorophenazin-1-ol
CID 137126057
7-bromo-1-methylphenazine
CID 70908217
2-bromo-8-propan-2-ylphenazine
CID 119028481
7-bromophenazine-1-carboxamide
CID 118197031
quinoxalino[2,3-b]phenazine-6,13-diol
CID 139171720
azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate
CID 160876314
2,7-dibromoquinoxaline
CID 827486
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
CID 70477859
7-bromo-2-chloro-4-methylquinoline
CID 14570303

Frequently Asked Questions

What is the IUPAC name of 2,4,8-tribromo-3-chlorophenazin-1-ol?
The IUPAC name of 2,4,8-tribromo-3-chlorophenazin-1-ol (CID 165155817) is 2,4,8-tribromo-3-chlorophenazin-1-ol.
What is the SMILES notation for 2,4,8-tribromo-3-chlorophenazin-1-ol?
The canonical SMILES for 2,4,8-tribromo-3-chlorophenazin-1-ol is Oc1c(Br)c(Cl)c(Br)c2nc3ccc(Br)cc3nc12.
What is the InChIKey of 2,4,8-tribromo-3-chlorophenazin-1-ol?
The InChIKey is FYAAZCSFMMFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br3ClN2O/c13-4-1-2-5-6(3-4)18-11-10(17-5)7(14)9(16)8(15)12(11)19/h1-3,19H.
What are the key properties of 2,4,8-tribromo-3-chlorophenazin-1-ol?
2,4,8-tribromo-3-chlorophenazin-1-ol has a molecular weight of 467.34 g/mol, XLogP of 5.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-tribromo-3-chlorophenazin-1-ol is sourced from PubChem (CID 165155817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).