(5-cyano-3-pyridinyl)-oxosulfanium

C6H3N2OS+ — CID 174076461

IUPAC(5-cyano-3-pyridinyl)-oxosulfanium
SMILESN#Cc1cncc([S+]=O)c1
InChIInChI=1S/C6H3N2OS/c7-2-5-1-6(10-9)4-8-3-5/h1,3-4H/q+1
InChIKeyWKJODMZRLSUBFX-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.74
Rot. Bonds1

About (5-cyano-3-pyridinyl)-oxosulfanium

(5-cyano-3-pyridinyl)-oxosulfanium (PubChem CID 174076461) has the molecular formula C6H3N2OS+ and a molecular weight of 151.17 g/mol. Its IUPAC name is (5-cyano-3-pyridinyl)-oxosulfanium.

Molecular Properties

Compound Name(5-cyano-3-pyridinyl)-oxosulfanium
PubChem CID174076461
Molecular FormulaC6H3N2OS+
Molecular Weight151.17 g/mol
Exact Mass151.00
IUPAC Name(5-cyano-3-pyridinyl)-oxosulfanium
SMILESN#Cc1cncc([S+]=O)c1
InChIInChI=1S/C6H3N2OS/c7-2-5-1-6(10-9)4-8-3-5/h1,3-4H/q+1
InChIKeyWKJODMZRLSUBFX-UHFFFAOYSA-N
XLogP0.74
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-3-pyridinyl)-oxosulfanium?
The IUPAC name of (5-cyano-3-pyridinyl)-oxosulfanium (CID 174076461) is (5-cyano-3-pyridinyl)-oxosulfanium.
What is the SMILES notation for (5-cyano-3-pyridinyl)-oxosulfanium?
The canonical SMILES for (5-cyano-3-pyridinyl)-oxosulfanium is N#Cc1cncc([S+]=O)c1.
What is the InChIKey of (5-cyano-3-pyridinyl)-oxosulfanium?
The InChIKey is WKJODMZRLSUBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N2OS/c7-2-5-1-6(10-9)4-8-3-5/h1,3-4H/q+1.
What are the key properties of (5-cyano-3-pyridinyl)-oxosulfanium?
(5-cyano-3-pyridinyl)-oxosulfanium has a molecular weight of 151.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-3-pyridinyl)-oxosulfanium is sourced from PubChem (CID 174076461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).