4-nitro-2-(phenyldisulfanyl)pyridine

C11H8N2O2S2 — CID 175571039

IUPAC4-nitro-2-(phenyldisulfanyl)pyridine
SMILESO=[N+]([O-])c1ccnc(SSc2ccccc2)c1
InChIInChI=1S/C11H8N2O2S2/c14-13(15)9-6-7-12-11(8-9)17-16-10-4-2-1-3-5-10/h1-8H
InChIKeyKRHDESCRADNGKD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.79
Rot. Bonds4

About 4-nitro-2-(phenyldisulfanyl)pyridine

4-nitro-2-(phenyldisulfanyl)pyridine (PubChem CID 175571039) has the molecular formula C11H8N2O2S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-nitro-2-(phenyldisulfanyl)pyridine.

Molecular Properties

Compound Name4-nitro-2-(phenyldisulfanyl)pyridine
PubChem CID175571039
Molecular FormulaC11H8N2O2S2
Molecular Weight264.33 g/mol
Exact Mass264.00
IUPAC Name4-nitro-2-(phenyldisulfanyl)pyridine
SMILESO=[N+]([O-])c1ccnc(SSc2ccccc2)c1
InChIInChI=1S/C11H8N2O2S2/c14-13(15)9-6-7-12-11(8-9)17-16-10-4-2-1-3-5-10/h1-8H
InChIKeyKRHDESCRADNGKD-UHFFFAOYSA-N
XLogP3.79
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(phenyldisulfanyl)pyridine?
The IUPAC name of 4-nitro-2-(phenyldisulfanyl)pyridine (CID 175571039) is 4-nitro-2-(phenyldisulfanyl)pyridine.
What is the SMILES notation for 4-nitro-2-(phenyldisulfanyl)pyridine?
The canonical SMILES for 4-nitro-2-(phenyldisulfanyl)pyridine is O=[N+]([O-])c1ccnc(SSc2ccccc2)c1.
What is the InChIKey of 4-nitro-2-(phenyldisulfanyl)pyridine?
The InChIKey is KRHDESCRADNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S2/c14-13(15)9-6-7-12-11(8-9)17-16-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 4-nitro-2-(phenyldisulfanyl)pyridine?
4-nitro-2-(phenyldisulfanyl)pyridine has a molecular weight of 264.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(phenyldisulfanyl)pyridine is sourced from PubChem (CID 175571039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).