1-oxido-3-pyridin-2-ylcinnolin-4-one

C13H8N3O2- — CID 88833445

IUPAC1-oxido-3-pyridin-2-ylcinnolin-4-one
SMILESO=c1c(-c2ccccn2)nn([O-])c2ccccc12
InChIInChI=1S/C13H8N3O2/c17-13-9-5-1-2-7-11(9)16(18)15-12(13)10-6-3-4-8-14-10/h1-8H/q-1
InChIKeyZTCNEJNCEXZCBV-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.80
Rot. Bonds1

About 1-oxido-3-pyridin-2-ylcinnolin-4-one

1-oxido-3-pyridin-2-ylcinnolin-4-one (PubChem CID 88833445) has the molecular formula C13H8N3O2- and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-oxido-3-pyridin-2-ylcinnolin-4-one.

Molecular Properties

Compound Name1-oxido-3-pyridin-2-ylcinnolin-4-one
PubChem CID88833445
Molecular FormulaC13H8N3O2-
Molecular Weight238.23 g/mol
Exact Mass238.06
IUPAC Name1-oxido-3-pyridin-2-ylcinnolin-4-one
SMILESO=c1c(-c2ccccn2)nn([O-])c2ccccc12
InChIInChI=1S/C13H8N3O2/c17-13-9-5-1-2-7-11(9)16(18)15-12(13)10-6-3-4-8-14-10/h1-8H/q-1
InChIKeyZTCNEJNCEXZCBV-UHFFFAOYSA-N
XLogP1.80
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3-pyridin-2-ylquinolin-4-one
CID 54475265
9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
CID 145186124
11-methyl-5-pyridin-2-ylbenzo[a]carbazole
CID 58410525
2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 23469400
9-methyl-3-pyridin-2-ylpyrido[3,4-b]indole
CID 70800051
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3-pyridin-2-ylcinnolin-4-one?
The IUPAC name of 1-oxido-3-pyridin-2-ylcinnolin-4-one (CID 88833445) is 1-oxido-3-pyridin-2-ylcinnolin-4-one.
What is the SMILES notation for 1-oxido-3-pyridin-2-ylcinnolin-4-one?
The canonical SMILES for 1-oxido-3-pyridin-2-ylcinnolin-4-one is O=c1c(-c2ccccn2)nn([O-])c2ccccc12.
What is the InChIKey of 1-oxido-3-pyridin-2-ylcinnolin-4-one?
The InChIKey is ZTCNEJNCEXZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N3O2/c17-13-9-5-1-2-7-11(9)16(18)15-12(13)10-6-3-4-8-14-10/h1-8H/q-1.
What are the key properties of 1-oxido-3-pyridin-2-ylcinnolin-4-one?
1-oxido-3-pyridin-2-ylcinnolin-4-one has a molecular weight of 238.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3-pyridin-2-ylcinnolin-4-one is sourced from PubChem (CID 88833445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).