2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine

C15H13ClF3NS — CID 102716296

IUPAC2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(Sc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C15H13ClF3NS/c1-9(2)10-3-5-12(6-4-10)21-14-8-11(15(17,18)19)7-13(16)20-14/h3-9H,1-2H3
InChIKeyPJZBMYGJBUNONU-UHFFFAOYSA-N
MW331.79 g/mol
LogP6.03
Rot. Bonds3

About 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine

2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine (PubChem CID 102716296) has the molecular formula C15H13ClF3NS and a molecular weight of 331.79 g/mol. Its IUPAC name is 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine
PubChem CID102716296
Molecular FormulaC15H13ClF3NS
Molecular Weight331.79 g/mol
Exact Mass331.04
IUPAC Name2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(Sc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C15H13ClF3NS/c1-9(2)10-3-5-12(6-4-10)21-14-8-11(15(17,18)19)7-13(16)20-14/h3-9H,1-2H3
InChIKeyPJZBMYGJBUNONU-UHFFFAOYSA-N
XLogP6.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.79
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716297
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 57365418
2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine
CID 102716369
5-(4-propan-2-ylphenyl)sulfanyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 171652137
2-chloro-6-thiophen-2-ylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716286
6-(4-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720140
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
(4-phenylsulfanylphenyl)-(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium hexafluorophosphate
CID 162329267
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine (CID 102716296) is 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine is CC(C)c1ccc(Sc2cc(C(F)(F)F)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine?
The InChIKey is PJZBMYGJBUNONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NS/c1-9(2)10-3-5-12(6-4-10)21-14-8-11(15(17,18)19)7-13(16)20-14/h3-9H,1-2H3.
What are the key properties of 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine?
2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine has a molecular weight of 331.79 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).