2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine

C12H9Cl2NOS — CID 514890

IUPAC2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine
SMILESCSc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2NOS/c1-17-9-3-5-12(15-7-9)16-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChIKeyWZVMWAUGHRPLTI-UHFFFAOYSA-N
MW286.18 g/mol
LogP4.90
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine

2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine (PubChem CID 514890) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine
PubChem CID514890
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine
SMILESCSc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2NOS/c1-17-9-3-5-12(15-7-9)16-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChIKeyWZVMWAUGHRPLTI-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine (CID 514890) is 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine is CSc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine?
The InChIKey is WZVMWAUGHRPLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c1-17-9-3-5-12(15-7-9)16-8-2-4-10(13)11(14)6-8/h2-7H,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine?
2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine has a molecular weight of 286.18 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine is sourced from PubChem (CID 514890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).