1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium

C10H8N2O2S2V — CID 159986983

IUPAC1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium
SMILES[O-][n+]1ccccc1SSc1cccc[n+]1[O-].[V]
InChIInChI=1S/C10H8N2O2S2.V/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;/h1-8H;
InChIKeyOGLRSVRDKHIJKY-UHFFFAOYSA-N
MW303.26 g/mol
LogP1.75
Rot. Bonds3

About 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium

1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium (PubChem CID 159986983) has the molecular formula C10H8N2O2S2V and a molecular weight of 303.26 g/mol. Its IUPAC name is 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium.

Molecular Properties

Compound Name1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium
PubChem CID159986983
Molecular FormulaC10H8N2O2S2V
Molecular Weight303.26 g/mol
Exact Mass302.95
IUPAC Name1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium
SMILES[O-][n+]1ccccc1SSc1cccc[n+]1[O-].[V]
InChIInChI=1S/C10H8N2O2S2.V/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;/h1-8H;
InChIKeyOGLRSVRDKHIJKY-UHFFFAOYSA-N
XLogP1.75
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
CID 3109
magnesium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichloride
CID 21321249
barium(2+);1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dichlorate
CID 173429899
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;tin(2+);dichlorate
CID 173429888
iron(2+);1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;dinitrate
CID 173430074
lithium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;acetate
CID 88736810
potassium;1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;acetate
CID 88738121
2-[(4-chlorophenyl)disulfanyl]-1-oxidopyridin-1-ium
CID 14946843
2-(tert-butyldisulfanyl)-1-oxidopyridin-1-ium
CID 13386159
1-oxido-2-(prop-2-enyldisulfanyl)pyridin-1-ium
CID 57207896
diiodo-bis[(1-oxidopyridin-1-ium-2-yl)sulfanyl]stannane
CID 172706467
2-(furan-2-ylmethyldisulfanyl)-1-oxidopyridin-1-ium
CID 57105777

Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium?
The IUPAC name of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium (CID 159986983) is 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium.
What is the SMILES notation for 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium?
The canonical SMILES for 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium is [O-][n+]1ccccc1SSc1cccc[n+]1[O-].[V].
What is the InChIKey of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium?
The InChIKey is OGLRSVRDKHIJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2.V/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;/h1-8H;.
What are the key properties of 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium?
1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium has a molecular weight of 303.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium;vanadium is sourced from PubChem (CID 159986983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).