5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine

C11H5Cl3FNS — CID 79734159

IUPAC5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl3FNS/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H
InChIKeyKREFSEPWFQHJCJ-UHFFFAOYSA-N
MW308.59 g/mol
LogP5.33
Rot. Bonds2

About 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine

5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine (PubChem CID 79734159) has the molecular formula C11H5Cl3FNS and a molecular weight of 308.59 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine
PubChem CID79734159
Molecular FormulaC11H5Cl3FNS
Molecular Weight308.59 g/mol
Exact Mass306.92
IUPAC Name5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl3FNS/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H
InChIKeyKREFSEPWFQHJCJ-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine?
The IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine (CID 79734159) is 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine is Fc1cc(Cl)cnc1Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine?
The InChIKey is KREFSEPWFQHJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FNS/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H.
What are the key properties of 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine?
5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine has a molecular weight of 308.59 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine is sourced from PubChem (CID 79734159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).