2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine

C11H9ClN2S — CID 62046671

IUPAC2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine
SMILESClc1cc(CSc2ccccn2)ccn1
InChIInChI=1S/C11H9ClN2S/c12-10-7-9(4-6-13-10)8-15-11-3-1-2-5-14-11/h1-7H,8H2
InChIKeyDUYJGJSZTSMDLB-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine

2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine (PubChem CID 62046671) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine
PubChem CID62046671
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine
SMILESClc1cc(CSc2ccccn2)ccn1
InChIInChI=1S/C11H9ClN2S/c12-10-7-9(4-6-13-10)8-15-11-3-1-2-5-14-11/h1-7H,8H2
InChIKeyDUYJGJSZTSMDLB-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine?
The IUPAC name of 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine (CID 62046671) is 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine?
The canonical SMILES for 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine is Clc1cc(CSc2ccccn2)ccn1.
What is the InChIKey of 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine?
The InChIKey is DUYJGJSZTSMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-10-7-9(4-6-13-10)8-15-11-3-1-2-5-14-11/h1-7H,8H2.
What are the key properties of 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine?
2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine has a molecular weight of 236.73 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pyridin-2-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 62046671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).