bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium

C21H17Cl2I2N2O2Zr- — CID 174375866

IUPACbis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
SMILESC[CH-]C.Oc1c(I)cc(Cl)c2cccnc12.Oc1c(I)cc(Cl)c2cccnc12.[Zr]
InChIInChI=1S/2C9H5ClINO.C3H7.Zr/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;1-3-2;/h2*1-4,13H;3H,1-2H3;/q;;-1;
InChIKeyUEQDQEDLWZSKHS-UHFFFAOYSA-N
MW745.32 g/mol
LogP7.62
Rot. Bonds

About bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium

bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium (PubChem CID 174375866) has the molecular formula C21H17Cl2I2N2O2Zr- and a molecular weight of 745.32 g/mol. Its IUPAC name is bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium.

Molecular Properties

Compound Namebis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
PubChem CID174375866
Molecular FormulaC21H17Cl2I2N2O2Zr-
Molecular Weight745.32 g/mol
Exact Mass742.78
IUPAC Namebis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
SMILESC[CH-]C.Oc1c(I)cc(Cl)c2cccnc12.Oc1c(I)cc(Cl)c2cccnc12.[Zr]
InChIInChI=1S/2C9H5ClINO.C3H7.Zr/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;1-3-2;/h2*1-4,13H;3H,1-2H3;/q;;-1;
InChIKeyUEQDQEDLWZSKHS-UHFFFAOYSA-N
XLogP7.62
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.32
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
5-chloro-7-iodoquinolin-8-olate
CID 149159528
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
CID 87200187
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-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol
CID 159232713
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium?
The IUPAC name of bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium (CID 174375866) is bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium.
What is the SMILES notation for bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium?
The canonical SMILES for bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium is C[CH-]C.Oc1c(I)cc(Cl)c2cccnc12.Oc1c(I)cc(Cl)c2cccnc12.[Zr].
What is the InChIKey of bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium?
The InChIKey is UEQDQEDLWZSKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5ClINO.C3H7.Zr/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;1-3-2;/h2*1-4,13H;3H,1-2H3;/q;;-1;.
What are the key properties of bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium?
bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium has a molecular weight of 745.32 g/mol, XLogP of 7.62, 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);propane;zirconium is sourced from PubChem (CID 174375866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).