quinoline-8-selenol

C9H7NSe — CID 101467585

IUPACquinoline-8-selenol
SMILES[SeH]c1cccc2cccnc12
InChIInChI=1S/C9H7NSe/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
InChIKeyKPCSMWYUJAOXFN-UHFFFAOYSA-N
MW208.12 g/mol
LogP0.76
Rot. Bonds

About quinoline-8-selenol

quinoline-8-selenol (PubChem CID 101467585) has the molecular formula C9H7NSe and a molecular weight of 208.12 g/mol. Its IUPAC name is quinoline-8-selenol.

Molecular Properties

Compound Namequinoline-8-selenol
PubChem CID101467585
Molecular FormulaC9H7NSe
Molecular Weight208.12 g/mol
Exact Mass208.97
IUPAC Namequinoline-8-selenol
SMILES[SeH]c1cccc2cccnc12
InChIInChI=1S/C9H7NSe/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
InChIKeyKPCSMWYUJAOXFN-UHFFFAOYSA-N
XLogP0.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
zinc bis(quinolin-8-olate)
CID 162394451
zinc quinolin-8-ol
CID 22057723
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448

Frequently Asked Questions

What is the IUPAC name of quinoline-8-selenol?
The IUPAC name of quinoline-8-selenol (CID 101467585) is quinoline-8-selenol.
What is the SMILES notation for quinoline-8-selenol?
The canonical SMILES for quinoline-8-selenol is [SeH]c1cccc2cccnc12.
What is the InChIKey of quinoline-8-selenol?
The InChIKey is KPCSMWYUJAOXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NSe/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H.
What are the key properties of quinoline-8-selenol?
quinoline-8-selenol has a molecular weight of 208.12 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-8-selenol is sourced from PubChem (CID 101467585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).