4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine

C12H9Cl2NS — CID 19866649

IUPAC4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
SMILESCSc1cc(Cl)ccc1-c1cc(Cl)ccn1
InChIInChI=1S/C12H9Cl2NS/c1-16-12-7-8(13)2-3-10(12)11-6-9(14)4-5-15-11/h2-7H,1H3
InChIKeyAWEMVYNVIGWFMH-UHFFFAOYSA-N
MW270.18 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine

4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine (PubChem CID 19866649) has the molecular formula C12H9Cl2NS and a molecular weight of 270.18 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
PubChem CID19866649
Molecular FormulaC12H9Cl2NS
Molecular Weight270.18 g/mol
Exact Mass268.98
IUPAC Name4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
SMILESCSc1cc(Cl)ccc1-c1cc(Cl)ccn1
InChIInChI=1S/C12H9Cl2NS/c1-16-12-7-8(13)2-3-10(12)11-6-9(14)4-5-15-11/h2-7H,1H3
InChIKeyAWEMVYNVIGWFMH-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine?
The IUPAC name of 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine (CID 19866649) is 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine?
The canonical SMILES for 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine is CSc1cc(Cl)ccc1-c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine?
The InChIKey is AWEMVYNVIGWFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NS/c1-16-12-7-8(13)2-3-10(12)11-6-9(14)4-5-15-11/h2-7H,1H3.
What are the key properties of 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine?
4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine has a molecular weight of 270.18 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine is sourced from PubChem (CID 19866649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).