2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine

C17H13ClN2S — CID 2807422

IUPAC2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine
SMILESCSc1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2S/c1-21-15-10-16(12-2-4-14(18)5-3-12)20-17(11-15)13-6-8-19-9-7-13/h2-11H,1H3
InChIKeyPLQJFNMUCXTPKU-UHFFFAOYSA-N
MW312.83 g/mol
LogP5.19
Rot. Bonds3

About 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine

2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine (PubChem CID 2807422) has the molecular formula C17H13ClN2S and a molecular weight of 312.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine
PubChem CID2807422
Molecular FormulaC17H13ClN2S
Molecular Weight312.83 g/mol
Exact Mass312.05
IUPAC Name2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine
SMILESCSc1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2S/c1-21-15-10-16(12-2-4-14(18)5-3-12)20-17(11-15)13-6-8-19-9-7-13/h2-11H,1H3
InChIKeyPLQJFNMUCXTPKU-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine (CID 2807422) is 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine is CSc1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine?
The InChIKey is PLQJFNMUCXTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2S/c1-21-15-10-16(12-2-4-14(18)5-3-12)20-17(11-15)13-6-8-19-9-7-13/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine?
2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine has a molecular weight of 312.83 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methylsulfanyl-6-pyridin-4-ylpyridine is sourced from PubChem (CID 2807422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).