2-[2-(2-chlorophenyl)sulfanylethyl]pyridine

C13H12ClNS — CID 78815813

IUPAC2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
SMILESClc1ccccc1SCCc1ccccn1
InChIInChI=1S/C13H12ClNS/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10H2
InChIKeyVCBLRQQFOLCQBK-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.07
Rot. Bonds4

About 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine

2-[2-(2-chlorophenyl)sulfanylethyl]pyridine (PubChem CID 78815813) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
PubChem CID78815813
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
SMILESClc1ccccc1SCCc1ccccn1
InChIInChI=1S/C13H12ClNS/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10H2
InChIKeyVCBLRQQFOLCQBK-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
CID 873007
1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
CID 56509108
2-(2-pyridin-2-ylethylsulfanyl)-5-(trifluoromethyl)aniline
CID 60890511
2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
CID 46691852
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 105079856
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820
2-(2-fluoroethyl)pyridine
CID 23246235
3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
3-(2-pyridin-2-ylethylsulfanyl)propane-1,2-diol
CID 79682874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine (CID 78815813) is 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine is Clc1ccccc1SCCc1ccccn1.
What is the InChIKey of 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine?
The InChIKey is VCBLRQQFOLCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10H2.
What are the key properties of 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine?
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine has a molecular weight of 249.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 78815813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).