(1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane

C10H9N2OP — CID 91071867

IUPAC(1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane
SMILES[O-][n+]1cccc(P)c1-c1ccccn1
InChIInChI=1S/C10H9N2OP/c13-12-7-3-5-9(14)10(12)8-4-1-2-6-11-8/h1-7H,14H2
InChIKeyKACWDYYJHUPZQX-UHFFFAOYSA-N
MW204.17 g/mol
LogP0.88
Rot. Bonds1

About (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane

(1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane (PubChem CID 91071867) has the molecular formula C10H9N2OP and a molecular weight of 204.17 g/mol. Its IUPAC name is (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane.

Molecular Properties

Compound Name(1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane
PubChem CID91071867
Molecular FormulaC10H9N2OP
Molecular Weight204.17 g/mol
Exact Mass204.05
IUPAC Name(1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane
SMILES[O-][n+]1cccc(P)c1-c1ccccn1
InChIInChI=1S/C10H9N2OP/c13-12-7-3-5-9(14)10(12)8-4-1-2-6-11-8/h1-7H,14H2
InChIKeyKACWDYYJHUPZQX-UHFFFAOYSA-N
XLogP0.88
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

chloroform;1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium;2-pyridin-2-ylpyridine
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tris(2-pyridin-2-ylpyridine);ruthenium
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2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
(2,3-dipyridin-2-yl-4-pyridinyl)phosphane
CID 123336699
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
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iridium;2-pyridin-2-ylpyridine;ruthenium
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Frequently Asked Questions

What is the IUPAC name of (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane?
The IUPAC name of (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane (CID 91071867) is (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane.
What is the SMILES notation for (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane?
The canonical SMILES for (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane is [O-][n+]1cccc(P)c1-c1ccccn1.
What is the InChIKey of (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane?
The InChIKey is KACWDYYJHUPZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2OP/c13-12-7-3-5-9(14)10(12)8-4-1-2-6-11-8/h1-7H,14H2.
What are the key properties of (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane?
(1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane has a molecular weight of 204.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxido-2-pyridin-2-ylpyridin-1-ium-3-yl)phosphane is sourced from PubChem (CID 91071867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).