3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine

C10H6N4O4S3 — CID 18670954

IUPAC3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
SMILESO=[N+]([O-])c1cccnc1SSSc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N4O4S3/c15-13(16)7-3-1-5-11-9(7)19-21-20-10-8(14(17)18)4-2-6-12-10/h1-6H
InChIKeyIKRABCQLCXJMCV-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.74
Rot. Bonds6

About 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine

3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine (PubChem CID 18670954) has the molecular formula C10H6N4O4S3 and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine.

Molecular Properties

Compound Name3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
PubChem CID18670954
Molecular FormulaC10H6N4O4S3
Molecular Weight342.38 g/mol
Exact Mass341.96
IUPAC Name3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
SMILESO=[N+]([O-])c1cccnc1SSSc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N4O4S3/c15-13(16)7-3-1-5-11-9(7)19-21-20-10-8(14(17)18)4-2-6-12-10/h1-6H
InChIKeyIKRABCQLCXJMCV-UHFFFAOYSA-N
XLogP3.74
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

[amino-[(3-nitro-2-pyridinyl)sulfanyl]methylidene]azanium chloride
CID 134101557
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2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine
CID 15141760
3-nitro-2-octylsulfanylpyridine
CID 174979790
2-(3-chloro-2-methylpropyl)sulfanyl-3-nitropyridine
CID 66103569
2-methylsulfanyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 17399569
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
2,3-dinitropyridine;hydrazine
CID 175406944
3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole
CID 14182087
5-[(3-nitro-2-pyridinyl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2765811
3-nitro-2-nitrosopyridine
CID 140999580

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine?
The IUPAC name of 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine (CID 18670954) is 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine.
What is the SMILES notation for 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine?
The canonical SMILES for 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine is O=[N+]([O-])c1cccnc1SSSc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine?
The InChIKey is IKRABCQLCXJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O4S3/c15-13(16)7-3-1-5-11-9(7)19-21-20-10-8(14(17)18)4-2-6-12-10/h1-6H.
What are the key properties of 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine?
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine has a molecular weight of 342.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine is sourced from PubChem (CID 18670954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).