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

C12H9Cl2NO2S — CID 514891

IUPAC2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine
SMILESCS(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2NO2S/c1-18(16)9-3-5-12(15-7-9)17-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChIKeyIXZOUXZKBAMFFP-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.92
Rot. Bonds3

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

2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine (PubChem CID 514891) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine
PubChem CID514891
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine
SMILESCS(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2NO2S/c1-18(16)9-3-5-12(15-7-9)17-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChIKeyIXZOUXZKBAMFFP-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chlorophenoxy)-3-pyridinesulfonamide
CID 901268
Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-
CID 514892
3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155525158
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155559174
3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155566926
4-[[6-(4-Chlorophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 24981897
5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155564048
Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylthio)-
CID 514890
Pyridine, 2-(3,4-dichlorophenoxy)-4-(methylsulfonyl)-
CID 514895
Pyridine, 2-(3,4-dichlorophenoxy)-6-(methylsulfonyl)-
CID 514896
5-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155541239
5-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155561916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine (CID 514891) is 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine is CS(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine?
The InChIKey is IXZOUXZKBAMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c1-18(16)9-3-5-12(15-7-9)17-8-2-4-10(13)11(14)6-8/h2-7H,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine?
2-(3,4-dichlorophenoxy)-5-methylsulfinylpyridine has a molecular weight of 302.18 g/mol, XLogP of 3.92, 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-methylsulfinylpyridine is sourced from PubChem (CID 514891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).