2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine

C13H11Cl2NS — CID 873007

IUPAC2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
SMILESClc1ccc(SCCc2ccccn2)cc1Cl
InChIInChI=1S/C13H11Cl2NS/c14-12-5-4-11(9-13(12)15)17-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8H2
InChIKeyHJAGGJKNZKSQRV-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.72
Rot. Bonds4

About 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine

2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine (PubChem CID 873007) has the molecular formula C13H11Cl2NS and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
PubChem CID873007
Molecular FormulaC13H11Cl2NS
Molecular Weight284.21 g/mol
Exact Mass283.00
IUPAC Name2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
SMILESClc1ccc(SCCc2ccccn2)cc1Cl
InChIInChI=1S/C13H11Cl2NS/c14-12-5-4-11(9-13(12)15)17-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8H2
InChIKeyHJAGGJKNZKSQRV-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347139
2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
2-[2-(4-methoxyphenyl)sulfanylethyl]pyridine;oxalic acid
CID 2854786
3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 30861963
1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
CID 517877
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820
2-(2-fluoroethyl)pyridine
CID 23246235
2-chloro-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)benzamide
CID 4783071
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine (CID 873007) is 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine is Clc1ccc(SCCc2ccccn2)cc1Cl.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine?
The InChIKey is HJAGGJKNZKSQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NS/c14-12-5-4-11(9-13(12)15)17-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8H2.
What are the key properties of 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine?
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine has a molecular weight of 284.21 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 873007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).