2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine

C12H9Cl2NO3S — CID 514895

IUPAC2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccnc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H9Cl2NO3S/c1-19(16,17)9-4-5-15-12(7-9)18-8-2-3-10(13)11(14)6-8/h2-7H,1H3
InChIKeyQYQDDPYRQILZLY-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.58
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine

2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine (PubChem CID 514895) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine
PubChem CID514895
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccnc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H9Cl2NO3S/c1-19(16,17)9-4-5-15-12(7-9)18-8-2-3-10(13)11(14)6-8/h2-7H,1H3
InChIKeyQYQDDPYRQILZLY-UHFFFAOYSA-N
XLogP3.58
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine (CID 514895) is 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine is CS(=O)(=O)c1ccnc(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine?
The InChIKey is QYQDDPYRQILZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c1-19(16,17)9-4-5-15-12(7-9)18-8-2-3-10(13)11(14)6-8/h2-7H,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine?
2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine has a molecular weight of 318.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-4-methylsulfonylpyridine is sourced from PubChem (CID 514895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).