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

C12H9Cl2NOS — CID 173291560

IUPAC4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine
SMILESCSc1cc(Oc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C12H9Cl2NOS/c1-17-11-7-8(5-6-15-11)16-10-4-2-3-9(13)12(10)14/h2-7H,1H3
InChIKeyBKUGSZNBQTYPPZ-UHFFFAOYSA-N
MW286.18 g/mol
LogP4.90
Rot. Bonds3

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

4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine (PubChem CID 173291560) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine
PubChem CID173291560
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine
SMILESCSc1cc(Oc2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C12H9Cl2NOS/c1-17-11-7-8(5-6-15-11)16-10-4-2-3-9(13)12(10)14/h2-7H,1H3
InChIKeyBKUGSZNBQTYPPZ-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 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine?
The IUPAC name of 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine (CID 173291560) is 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine is CSc1cc(Oc2cccc(Cl)c2Cl)ccn1.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine?
The InChIKey is BKUGSZNBQTYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c1-17-11-7-8(5-6-15-11)16-10-4-2-3-9(13)12(10)14/h2-7H,1H3.
What are the key properties of 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine?
4-(2,3-dichlorophenoxy)-2-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 4-(2,3-dichlorophenoxy)-2-methylsulfanylpyridine is sourced from PubChem (CID 173291560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).