3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine

C12H9Cl2NS — CID 47152859

IUPAC3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
SMILESClc1ccccc1CSc1ncccc1Cl
InChIInChI=1S/C12H9Cl2NS/c13-10-5-2-1-4-9(10)8-16-12-11(14)6-3-7-15-12/h1-7H,8H2
InChIKeyADVGOUTUZPDJPE-UHFFFAOYSA-N
MW270.18 g/mol
LogP4.68
Rot. Bonds3

About 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine

3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine (PubChem CID 47152859) has the molecular formula C12H9Cl2NS and a molecular weight of 270.18 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
PubChem CID47152859
Molecular FormulaC12H9Cl2NS
Molecular Weight270.18 g/mol
Exact Mass268.98
IUPAC Name3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
SMILESClc1ccccc1CSc1ncccc1Cl
InChIInChI=1S/C12H9Cl2NS/c13-10-5-2-1-4-9(10)8-16-12-11(14)6-3-7-15-12/h1-7H,8H2
InChIKeyADVGOUTUZPDJPE-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine (CID 47152859) is 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine is Clc1ccccc1CSc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine?
The InChIKey is ADVGOUTUZPDJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NS/c13-10-5-2-1-4-9(10)8-16-12-11(14)6-3-7-15-12/h1-7H,8H2.
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine?
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine has a molecular weight of 270.18 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 47152859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).