2-(ethyldisulfanyl)-5-nitropyridine

C7H8N2O2S2 — CID 58752642

IUPAC2-(ethyldisulfanyl)-5-nitropyridine
SMILESCCSSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H8N2O2S2/c1-2-12-13-7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3
InChIKeyJVCBWFQJTHDRON-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.75
Rot. Bonds4

About 2-(ethyldisulfanyl)-5-nitropyridine

2-(ethyldisulfanyl)-5-nitropyridine (PubChem CID 58752642) has the molecular formula C7H8N2O2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)-5-nitropyridine.

Molecular Properties

Compound Name2-(ethyldisulfanyl)-5-nitropyridine
PubChem CID58752642
Molecular FormulaC7H8N2O2S2
Molecular Weight216.29 g/mol
Exact Mass216.00
IUPAC Name2-(ethyldisulfanyl)-5-nitropyridine
SMILESCCSSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C7H8N2O2S2/c1-2-12-13-7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3
InChIKeyJVCBWFQJTHDRON-UHFFFAOYSA-N
XLogP2.75
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.75
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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Related Compounds

5-nitro-2-[(4-propan-2-ylphenyl)methyldisulfanyl]pyridine
CID 23624880
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
2-[(5-nitro-2-pyridinyl)disulfanyl]propan-1-amine
CID 118938615
ethanethiol;[1-(ethyldisulfanyl)cyclobutyl]methanol;methane;[1-[(5-nitro-2-pyridinyl)disulfanyl]cyclobutyl]methanol
CID 160682505
chloro 3-[(5-nitro-2-pyridinyl)disulfanyl]propanoate
CID 135304033
(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butan-1-ol
CID 126748954
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
CID 43385380
3-[(5-nitro-2-pyridinyl)disulfanyl]butan-2-yl carbonochloridate;1-[(5-nitro-2-pyridinyl)disulfanyl]propan-2-yl carbonochloridate
CID 135304096
5-nitro-2-pent-1-en-3-ylsulfanylpyridine
CID 174962679
4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoic acid
CID 22382883
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide
CID 88563057

Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)-5-nitropyridine?
The IUPAC name of 2-(ethyldisulfanyl)-5-nitropyridine (CID 58752642) is 2-(ethyldisulfanyl)-5-nitropyridine.
What is the SMILES notation for 2-(ethyldisulfanyl)-5-nitropyridine?
The canonical SMILES for 2-(ethyldisulfanyl)-5-nitropyridine is CCSSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(ethyldisulfanyl)-5-nitropyridine?
The InChIKey is JVCBWFQJTHDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S2/c1-2-12-13-7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3.
What are the key properties of 2-(ethyldisulfanyl)-5-nitropyridine?
2-(ethyldisulfanyl)-5-nitropyridine has a molecular weight of 216.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)-5-nitropyridine is sourced from PubChem (CID 58752642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).