2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine

C12H13ClF3NS — CID 102716318

IUPAC2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(SC2CCCCC2)c1
InChIInChI=1S/C12H13ClF3NS/c13-10-6-8(12(14,15)16)7-11(17-10)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyUXORIIAJRMYPSV-UHFFFAOYSA-N
MW295.76 g/mol
LogP5.18
Rot. Bonds2

About 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine

2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine (PubChem CID 102716318) has the molecular formula C12H13ClF3NS and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
PubChem CID102716318
Molecular FormulaC12H13ClF3NS
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(SC2CCCCC2)c1
InChIInChI=1S/C12H13ClF3NS/c13-10-6-8(12(14,15)16)7-11(17-10)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyUXORIIAJRMYPSV-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.76
LogP ≤ 55.18
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

[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721404
6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563044
6-cyclopentylsulfanyl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720339
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
CID 102716139
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 57365418
1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene
CID 59882106
8-chloro-3-cyclopentylsulfanyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 60617529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine (CID 102716318) is 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(SC2CCCCC2)c1.
What is the InChIKey of 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine?
The InChIKey is UXORIIAJRMYPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NS/c13-10-6-8(12(14,15)16)7-11(17-10)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2.
What are the key properties of 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine?
2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine has a molecular weight of 295.76 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).