5-chloro-7-iodoquinolin-8-olate

C9H4ClINO- — CID 149159528

IUPAC5-chloro-7-iodoquinolin-8-olate
SMILES[O-]c1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H/p-1
InChIKeyQCDFBFJGMNKBDO-UHFFFAOYSA-M
MW304.49 g/mol
LogP2.57
Rot. Bonds

About 5-chloro-7-iodoquinolin-8-olate

5-chloro-7-iodoquinolin-8-olate (PubChem CID 149159528) has the molecular formula C9H4ClINO- and a molecular weight of 304.49 g/mol. Its IUPAC name is 5-chloro-7-iodoquinolin-8-olate.

Molecular Properties

Compound Name5-chloro-7-iodoquinolin-8-olate
PubChem CID149159528
Molecular FormulaC9H4ClINO-
Molecular Weight304.49 g/mol
Exact Mass303.90
IUPAC Name5-chloro-7-iodoquinolin-8-olate
SMILES[O-]c1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H/p-1
InChIKeyQCDFBFJGMNKBDO-UHFFFAOYSA-M
XLogP2.57
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331
tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
CID 71625723
bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)
CID 10372141
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
CID 174375866
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
5-chloro-6-iodo-1,10-phenanthroline
CID 163214528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-iodoquinolin-8-olate?
The IUPAC name of 5-chloro-7-iodoquinolin-8-olate (CID 149159528) is 5-chloro-7-iodoquinolin-8-olate.
What is the SMILES notation for 5-chloro-7-iodoquinolin-8-olate?
The canonical SMILES for 5-chloro-7-iodoquinolin-8-olate is [O-]c1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-iodoquinolin-8-olate?
The InChIKey is QCDFBFJGMNKBDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H/p-1.
What are the key properties of 5-chloro-7-iodoquinolin-8-olate?
5-chloro-7-iodoquinolin-8-olate has a molecular weight of 304.49 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-iodoquinolin-8-olate is sourced from PubChem (CID 149159528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).