2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine

C11H5Cl3FNS — CID 102752241

IUPAC2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
SMILESFc1ccccc1Sc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H5Cl3FNS/c12-6-5-7(13)11(16-10(6)14)17-9-4-2-1-3-8(9)15/h1-5H
InChIKeyZQWPHCOGAVLHFL-UHFFFAOYSA-N
MW308.59 g/mol
LogP5.33
Rot. Bonds2

About 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine

2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine (PubChem CID 102752241) has the molecular formula C11H5Cl3FNS and a molecular weight of 308.59 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
PubChem CID102752241
Molecular FormulaC11H5Cl3FNS
Molecular Weight308.59 g/mol
Exact Mass306.92
IUPAC Name2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
SMILESFc1ccccc1Sc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H5Cl3FNS/c12-6-5-7(13)11(16-10(6)14)17-9-4-2-1-3-8(9)15/h1-5H
InChIKeyZQWPHCOGAVLHFL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(2-fluorophenyl)sulfanyl-1,2,5-thiadiazole
CID 43808351
3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
CID 102761364
2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
CID 79075915
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
CID 102752219
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
CID 63732482
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
CID 47159001
3,5-difluoro-6-(2-fluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 114073809
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
2-chloro-6-(2-fluorophenyl)sulfanylpyrazine
CID 43260478

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine?
The IUPAC name of 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine (CID 102752241) is 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine?
The canonical SMILES for 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine is Fc1ccccc1Sc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine?
The InChIKey is ZQWPHCOGAVLHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FNS/c12-6-5-7(13)11(16-10(6)14)17-9-4-2-1-3-8(9)15/h1-5H.
What are the key properties of 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine?
2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine 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 2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine is sourced from PubChem (CID 102752241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).