2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine

C12H10Cl2N2S2 — CID 3088794

IUPAC2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine
SMILESClc1cccc(CSSCc2cccc(Cl)n2)n1
InChIInChI=1S/C12H10Cl2N2S2/c13-11-5-1-3-9(15-11)7-17-18-8-10-4-2-6-12(14)16-10/h1-6H,7-8H2
InChIKeyZIXFFJHJUSBVHR-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.86
Rot. Bonds5

About 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine

2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine (PubChem CID 3088794) has the molecular formula C12H10Cl2N2S2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine
PubChem CID3088794
Molecular FormulaC12H10Cl2N2S2
Molecular Weight317.27 g/mol
Exact Mass315.97
IUPAC Name2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine
SMILESClc1cccc(CSSCc2cccc(Cl)n2)n1
InChIInChI=1S/C12H10Cl2N2S2/c13-11-5-1-3-9(15-11)7-17-18-8-10-4-2-6-12(14)16-10/h1-6H,7-8H2
InChIKeyZIXFFJHJUSBVHR-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine?
The IUPAC name of 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine (CID 3088794) is 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine?
The canonical SMILES for 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine is Clc1cccc(CSSCc2cccc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine?
The InChIKey is ZIXFFJHJUSBVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S2/c13-11-5-1-3-9(15-11)7-17-18-8-10-4-2-6-12(14)16-10/h1-6H,7-8H2.
What are the key properties of 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine?
2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine has a molecular weight of 317.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(6-chloro-2-pyridinyl)methyldisulfanyl]methyl]pyridine is sourced from PubChem (CID 3088794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).