2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine

C11H4Cl3F3N2S — CID 102752250

IUPAC2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
SMILESFC(F)(F)c1ccc(Sc2nc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C11H4Cl3F3N2S/c12-6-3-7(13)10(19-9(6)14)20-8-2-1-5(4-18-8)11(15,16)17/h1-4H
InChIKeyYEQYGHODVGQWGU-UHFFFAOYSA-N
MW359.59 g/mol
LogP5.61
Rot. Bonds2

About 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine

2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine (PubChem CID 102752250) has the molecular formula C11H4Cl3F3N2S and a molecular weight of 359.59 g/mol. Its IUPAC name is 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
PubChem CID102752250
Molecular FormulaC11H4Cl3F3N2S
Molecular Weight359.59 g/mol
Exact Mass357.91
IUPAC Name2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
SMILESFC(F)(F)c1ccc(Sc2nc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C11H4Cl3F3N2S/c12-6-3-7(13)10(19-9(6)14)20-8-2-1-5(4-18-8)11(15,16)17/h1-4H
InChIKeyYEQYGHODVGQWGU-UHFFFAOYSA-N
XLogP5.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
CID 81038239
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55065185
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55080424
2-(4-tert-butylphenyl)sulfanyl-3,5,6-trichloropyridine
CID 102752274
2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 83077019
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
3-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carboxylic acid
CID 107063673
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
5-amino-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-3-carbonitrile
CID 103470800

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The IUPAC name of 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine (CID 102752250) is 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The canonical SMILES for 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine is FC(F)(F)c1ccc(Sc2nc(Cl)c(Cl)cc2Cl)nc1.
What is the InChIKey of 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The InChIKey is YEQYGHODVGQWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2S/c12-6-3-7(13)10(19-9(6)14)20-8-2-1-5(4-18-8)11(15,16)17/h1-4H.
What are the key properties of 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine has a molecular weight of 359.59 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine is sourced from PubChem (CID 102752250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).