2-(nonyldisulfanyl)pyridine

C14H23NS2 — CID 162650625

IUPAC2-(nonyldisulfanyl)pyridine
SMILESCCCCCCCCCSSc1ccccn1
InChIInChI=1S/C14H23NS2/c1-2-3-4-5-6-7-10-13-16-17-14-11-8-9-12-15-14/h8-9,11-12H,2-7,10,13H2,1H3
InChIKeyBSMXDMZZTMDVQZ-UHFFFAOYSA-N
MW269.48 g/mol
LogP5.57
Rot. Bonds10

About 2-(nonyldisulfanyl)pyridine

2-(nonyldisulfanyl)pyridine (PubChem CID 162650625) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-(nonyldisulfanyl)pyridine.

Molecular Properties

Compound Name2-(nonyldisulfanyl)pyridine
PubChem CID162650625
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name2-(nonyldisulfanyl)pyridine
SMILESCCCCCCCCCSSc1ccccn1
InChIInChI=1S/C14H23NS2/c1-2-3-4-5-6-7-10-13-16-17-14-11-8-9-12-15-14/h8-9,11-12H,2-7,10,13H2,1H3
InChIKeyBSMXDMZZTMDVQZ-UHFFFAOYSA-N
XLogP5.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(nonyldisulfanyl)pyridine?
The IUPAC name of 2-(nonyldisulfanyl)pyridine (CID 162650625) is 2-(nonyldisulfanyl)pyridine.
What is the SMILES notation for 2-(nonyldisulfanyl)pyridine?
The canonical SMILES for 2-(nonyldisulfanyl)pyridine is CCCCCCCCCSSc1ccccn1.
What is the InChIKey of 2-(nonyldisulfanyl)pyridine?
The InChIKey is BSMXDMZZTMDVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-2-3-4-5-6-7-10-13-16-17-14-11-8-9-12-15-14/h8-9,11-12H,2-7,10,13H2,1H3.
What are the key properties of 2-(nonyldisulfanyl)pyridine?
2-(nonyldisulfanyl)pyridine has a molecular weight of 269.48 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonyldisulfanyl)pyridine is sourced from PubChem (CID 162650625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).