5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine

C13H11ClFNS — CID 112832335

IUPAC5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
SMILESCC(Sc1ccc(Cl)cn1)c1ccccc1F
InChIInChI=1S/C13H11ClFNS/c1-9(11-4-2-3-5-12(11)15)17-13-7-6-10(14)8-16-13/h2-9H,1H3
InChIKeyCXZPTUZEMMBIAW-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.73
Rot. Bonds3

About 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine

5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine (PubChem CID 112832335) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
PubChem CID112832335
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
SMILESCC(Sc1ccc(Cl)cn1)c1ccccc1F
InChIInChI=1S/C13H11ClFNS/c1-9(11-4-2-3-5-12(11)15)17-13-7-6-10(14)8-16-13/h2-9H,1H3
InChIKeyCXZPTUZEMMBIAW-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
CID 133343083
2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 133371906
2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
CID 22764664
3-bromo-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylpyridine
CID 100617547
5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
CID 112815230
5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole
CID 141313942
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
[(5-chloro-2-pyridinyl)-(2-fluorophenyl)methyl]hydrazine
CID 105251422
2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
CID 79357437
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
The IUPAC name of 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine (CID 112832335) is 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine.
What is the SMILES notation for 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
The canonical SMILES for 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine is CC(Sc1ccc(Cl)cn1)c1ccccc1F.
What is the InChIKey of 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
The InChIKey is CXZPTUZEMMBIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNS/c1-9(11-4-2-3-5-12(11)15)17-13-7-6-10(14)8-16-13/h2-9H,1H3.
What are the key properties of 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine?
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine has a molecular weight of 267.76 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine is sourced from PubChem (CID 112832335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).