5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine

C10H6N4O4S2 — CID 16474

IUPAC5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine
SMILESO=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1
InChIInChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H
InChIKeyROUFCTKIILEETD-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.09
Rot. Bonds5

About 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine

5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine (PubChem CID 16474) has the molecular formula C10H6N4O4S2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine
PubChem CID16474
Molecular FormulaC10H6N4O4S2
Molecular Weight310.32 g/mol
Exact Mass309.98
IUPAC Name5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine
SMILESO=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1
InChIInChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H
InChIKeyROUFCTKIILEETD-UHFFFAOYSA-N
XLogP3.09
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine?
The IUPAC name of 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine (CID 16474) is 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine.
What is the SMILES notation for 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine?
The canonical SMILES for 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine is O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1.
What is the InChIKey of 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine?
The InChIKey is ROUFCTKIILEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H.
What are the key properties of 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine?
5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine has a molecular weight of 310.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine is sourced from PubChem (CID 16474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).