2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine

C14H14ClNS — CID 2172820

IUPAC2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
SMILESClc1ccc(CSCCc2ccccn2)cc1
InChIInChI=1S/C14H14ClNS/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14/h1-7,9H,8,10-11H2
InChIKeyFJDBGXJGTSVSNG-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.21
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine

2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine (PubChem CID 2172820) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
PubChem CID2172820
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
SMILESClc1ccc(CSCCc2ccccn2)cc1
InChIInChI=1S/C14H14ClNS/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14/h1-7,9H,8,10-11H2
InChIKeyFJDBGXJGTSVSNG-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425
2-[2-[(3-fluorophenyl)methylsulfanyl]ethyl]pyridine
CID 78860419
2-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethyl]pyridine
CID 78860421
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
CID 78860958
2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 66225834
N-(5-chloro-2-pyridinyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 4686631
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
CID 60797375
2-(2-hexylsulfanylethyl)pyridine
CID 95562090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine (CID 2172820) is 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine is Clc1ccc(CSCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine?
The InChIKey is FJDBGXJGTSVSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-13-6-4-12(5-7-13)11-17-10-8-14-3-1-2-9-16-14/h1-7,9H,8,10-11H2.
What are the key properties of 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine?
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine has a molecular weight of 263.79 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine is sourced from PubChem (CID 2172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).