5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine

C11H8Br2N2S2 — CID 166441352

IUPAC5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine
SMILESBrc1ccc(SCSc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H8Br2N2S2/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-6H,7H2
InChIKeyCQMNLWGYAGSVIA-UHFFFAOYSA-N
MW392.14 g/mol
LogP4.84
Rot. Bonds4

About 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine

5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine (PubChem CID 166441352) has the molecular formula C11H8Br2N2S2 and a molecular weight of 392.14 g/mol. Its IUPAC name is 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine
PubChem CID166441352
Molecular FormulaC11H8Br2N2S2
Molecular Weight392.14 g/mol
Exact Mass389.85
IUPAC Name5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine
SMILESBrc1ccc(SCSc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H8Br2N2S2/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-6H,7H2
InChIKeyCQMNLWGYAGSVIA-UHFFFAOYSA-N
XLogP4.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine?
The IUPAC name of 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine (CID 166441352) is 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine?
The canonical SMILES for 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine is Brc1ccc(SCSc2ccc(Br)cn2)nc1.
What is the InChIKey of 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine?
The InChIKey is CQMNLWGYAGSVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2S2/c12-8-1-3-10(14-5-8)16-7-17-11-4-2-9(13)6-15-11/h1-6H,7H2.
What are the key properties of 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine?
5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine has a molecular weight of 392.14 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-bromo-2-pyridinyl)sulfanylmethylsulfanyl]pyridine is sourced from PubChem (CID 166441352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).