2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine

C12H8ClF3N2S — CID 83268833

IUPAC2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
SMILESCc1cnc(Cl)cc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H8ClF3N2S/c1-7-5-17-10(13)4-9(7)19-11-3-2-8(6-18-11)12(14,15)16/h2-6H,1H3
InChIKeyBXSWWAQBPMCSPY-UHFFFAOYSA-N
MW304.72 g/mol
LogP4.61
Rot. Bonds2

About 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine

2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine (PubChem CID 83268833) has the molecular formula C12H8ClF3N2S and a molecular weight of 304.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
PubChem CID83268833
Molecular FormulaC12H8ClF3N2S
Molecular Weight304.72 g/mol
Exact Mass304.00
IUPAC Name2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
SMILESCc1cnc(Cl)cc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H8ClF3N2S/c1-7-5-17-10(13)4-9(7)19-11-3-2-8(6-18-11)12(14,15)16/h2-6H,1H3
InChIKeyBXSWWAQBPMCSPY-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The IUPAC name of 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine (CID 83268833) is 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The canonical SMILES for 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine is Cc1cnc(Cl)cc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
The InChIKey is BXSWWAQBPMCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2S/c1-7-5-17-10(13)4-9(7)19-11-3-2-8(6-18-11)12(14,15)16/h2-6H,1H3.
What are the key properties of 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine?
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine has a molecular weight of 304.72 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine is sourced from PubChem (CID 83268833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).