bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)

C18H10Cl2GaI2N2O2+3 — CID 25009413

IUPACbis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
SMILESOc1c(I)cc(Cl)c2cccnc12.Oc1c(I)cc(Cl)c2cccnc12.[67Ga+3]
InChIInChI=1S/2C9H5ClINO.Ga/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+3/i;;1-3
InChIKeyZEJHAWXFIGGLJG-SIUYXFDKSA-N
MW677.93 g/mol
LogP6.02
Rot. Bonds

About bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)

bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+) (PubChem CID 25009413) has the molecular formula C18H10Cl2GaI2N2O2+3 and a molecular weight of 677.93 g/mol. Its IUPAC name is bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+).

Molecular Properties

Compound Namebis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
PubChem CID25009413
Molecular FormulaC18H10Cl2GaI2N2O2+3
Molecular Weight677.93 g/mol
Exact Mass676.75
IUPAC Namebis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
SMILESOc1c(I)cc(Cl)c2cccnc12.Oc1c(I)cc(Cl)c2cccnc12.[67Ga+3]
InChIInChI=1S/2C9H5ClINO.Ga/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+3/i;;1-3
InChIKeyZEJHAWXFIGGLJG-SIUYXFDKSA-N
XLogP6.02
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.93
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
CID 174375866
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
5-chloro-7-iodoquinolin-8-olate
CID 149159528
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
CID 87200187
5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol
CID 159232713

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)?
The IUPAC name of bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+) (CID 25009413) is bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+).
What is the SMILES notation for bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)?
The canonical SMILES for bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+) is Oc1c(I)cc(Cl)c2cccnc12.Oc1c(I)cc(Cl)c2cccnc12.[67Ga+3].
What is the InChIKey of bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)?
The InChIKey is ZEJHAWXFIGGLJG-SIUYXFDKSA-N. The full InChI is InChI=1S/2C9H5ClINO.Ga/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+3/i;;1-3.
What are the key properties of bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)?
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+) has a molecular weight of 677.93 g/mol, XLogP of 6.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+) is sourced from PubChem (CID 25009413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).