2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine

C13H11Cl2NS — CID 22764664

IUPAC2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
SMILESCC(Sc1ccccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NS/c1-9(17-13-4-2-3-7-16-13)11-8-10(14)5-6-12(11)15/h2-9H,1H3
InChIKeyVMPLZIDAUGOMSR-UHFFFAOYSA-N
MW284.21 g/mol
LogP5.24
Rot. Bonds3

About 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine

2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine (PubChem CID 22764664) has the molecular formula C13H11Cl2NS and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
PubChem CID22764664
Molecular FormulaC13H11Cl2NS
Molecular Weight284.21 g/mol
Exact Mass283.00
IUPAC Name2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
SMILESCC(Sc1ccccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NS/c1-9(17-13-4-2-3-7-16-13)11-8-10(14)5-6-12(11)15/h2-9H,1H3
InChIKeyVMPLZIDAUGOMSR-UHFFFAOYSA-N
XLogP5.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.21
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
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4-(1-pyridin-2-ylsulfanylethyl)aniline
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2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
1-(2,5-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446052
(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
CID 62789956
2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
CID 55020002
3-methyl-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
CID 51932779
(2R)-2-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile
CID 1487418
4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 114863609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine (CID 22764664) is 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine is CC(Sc1ccccn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine?
The InChIKey is VMPLZIDAUGOMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NS/c1-9(17-13-4-2-3-7-16-13)11-8-10(14)5-6-12(11)15/h2-9H,1H3.
What are the key properties of 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine?
2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine has a molecular weight of 284.21 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine is sourced from PubChem (CID 22764664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).